CID 555202

N-benzylidenebenzenesulfonamide

Structural Information

Molecular Formula
C13H11NO2S
SMILES
C1=CC=C(C=C1)C=NS(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C13H11NO2S/c15-17(16,13-9-5-2-6-10-13)14-11-12-7-3-1-4-8-12/h1-11H
InChIKey
MPNRJEPBAYEQBY-UHFFFAOYSA-N
Compound name
N-benzylidenebenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

245.05106 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.05834 152.4
[M+Na]+ 268.04028 160.7
[M-H]- 244.04378 160.7
[M+NH4]+ 263.08488 170.3
[M+K]+ 284.01422 156.4
[M+H-H2O]+ 228.04832 145.0
[M+HCOO]- 290.04926 174.0
[M+CH3COO]- 304.06491 191.6
[M+Na-2H]- 266.02573 159.5
[M]+ 245.05051 154.6
[M]- 245.05161 154.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe