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

Formula: C22H20N2O4


Canonical SMILES:
COC(=O)c1ccc(cc1)c1cc(N)c(cc1c1ccc(cc1)C(=O)OC)N
InChI:
InChI=1S/C22H20N2O4/c1-27-21(25)15-7-3-13(4-8-15)17-11-19(23)20(24)12-18(17)14-5-9-16(10-6-14)22(26)28-2/h3-12H,23-24H2,1-2H3
InChIKey:
GDNXABGKDRYTLH-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2021-11-05This 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 (%): 377 (46) [M+2H]+, 376 (100) [M+H]+, 375 (17) [M]+, 345 (20), 307 (19), 155 (27), 154 (85), 139 (16), 138 (33), 137 (59), 136 (58), 107 (20), 95 (15), 91 (15), 89 (16). HRMS–FAB (m/z): [M + H]+ calcd for C22H20O4N2 376.1418 ; found 376.1417.
Datasets