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

Formula: C25H25N3OS


Canonical SMILES:
S=C(NCc1ccccc1)NNC(=O)c1cc2ccc1CCc1ccc(CC2)cc1
InChI:
InChI=1S/C25H25N3OS/c29-24(27-28-25(30)26-17-21-4-2-1-3-5-21)23-16-20-11-10-18-6-8-19(9-7-18)12-14-22(23)15-13-20/h1-9,13,15-16H,10-12,14,17H2,(H,27,29)(H2,26,28,30)
InChIKey:
AHEWUPIXIDFYRQ-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 (%) = 415.3 [M]+ (19), 327.3 (12), 136.0 (89), 124.01(13), 120.1 (15), 107.1 (27), 91.0 (15). HRMS (EI, [M]+, C25H26O1N332S1) Calcd 416.1797, Found 416.1799.
Datasets