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

Formula: C21H23N3OS


Canonical SMILES:
C=CCNC(=S)NNC(=O)c1cc2ccc1CCc1ccc(CC2)cc1
InChI:
InChI=1S/C21H23N3OS/c1-2-13-22-21(26)24-23-20(25)19-14-17-8-7-15-3-5-16(6-4-15)9-11-18(19)12-10-17/h2-6,10,12,14H,1,7-9,11,13H2,(H,23,25)(H2,22,24,26)
InChIKey:
MGWQWXRMOUQWNJ-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, 3-NBA): 366.2 (M+H),100), 235.1 (90), 131.1 (43).
Datasets