This information is based on the molecular structure shown on the left side. For a decoupled sample, please refer to its individual details.

Formula: C20H18Br2N2O4S2


Canonical SMILES:
Brc1cc(NS(=O)(=O)c2ccc(cc2)C)c(cc1Br)NS(=O)(=O)c1ccc(cc1)C
InChI:
InChI=1S/C20H18Br2N2O4S2/c1-13-3-7-15(8-4-13)29(25,26)23-19-11-17(21)18(22)12-20(19)24-30(27,28)16-9-5-14(2)6-10-16/h3-12,23-24H,1-2H3
InChIKey:
HQTDELJACHUANE-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2021-12-10This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.

 

mass spectrometry (MS) 
Author: Jérôme Klein1

1. Institute of Biological and Chemical Systems - IBCS-FMS, Karlsruhe Institute of Technology, Germany

Analysis DOI:
Analysis ID:
Content:   
MS (FAB, 3-NBA), m/z (%) : 607 (52), 577 (14), 576/574 (15/18) [M+2H]+, 575/573 (24/13) [M+H]+, 421 (11), 419 (19), 307 (31), 289 (18), 265 (17), 217 (11), 155 (42), 154 (100), 152 (10), 139 (23), 138 (33), 137 (55), 136 (74), 120 (12), 107 (23), 91 (35), 90 (18), 89 (21). HRMS–FAB (m/z): [M + H]+ calcd for C20H19O4N279Br232S2 572.9074; found 572.9068.
Datasets