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

Formula: C20H23N3OS


Canonical SMILES:
CCNC(=S)NNC(=O)c1cc2ccc1CCc1ccc(CC2)cc1
InChI:
InChI=1S/C20H23N3OS/c1-2-21-20(25)23-22-19(24)18-13-16-8-7-14-3-5-15(6-4-14)9-11-17(18)12-10-16/h3-6,10,12-13H,2,7-9,11H2,1H3,(H,22,24)(H2,21,23,25)
InChIKey:
QCROPDZMEXJRNG-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2024-09-01This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.

 

mass spectrometry (MS) 
Author: Lamiaa Abdelhaleem1

1. Karlsruhe Institute of Technology, Germany

Analysis DOI:
Analysis ID:
Content:   
MS (FAB) m/z (%) = 354.2 [M]+ (94), 267.2 (7), 235.1 (100),146.1 (6),131.1 (41), 119.1 (5),104.1 (12), 89.0 (10). HRMS (EI, [M+H]+, C21H24O1N332S1) Calcd 354.1640, Found 354.1640.
Datasets