CID 593569

4-amino-n-(2-methylphenyl)benzene-1-sulfonamide

Structural Information

Molecular Formula
C13H14N2O2S
SMILES
CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C13H14N2O2S/c1-10-4-2-3-5-13(10)15-18(16,17)12-8-6-11(14)7-9-12/h2-9,15H,14H2,1H3
InChIKey
VNBAGPGLMFYJKB-UHFFFAOYSA-N
Compound name
4-amino-N-(2-methylphenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

262.0776 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.08488 156.5
[M+Na]+ 285.06682 164.6
[M-H]- 261.07032 163.3
[M+NH4]+ 280.11142 172.8
[M+K]+ 301.04076 159.6
[M+H-H2O]+ 245.07486 149.3
[M+HCOO]- 307.07580 176.6
[M+CH3COO]- 321.09145 197.3
[M+Na-2H]- 283.05227 161.5
[M]+ 262.07705 156.7
[M]- 262.07815 156.7
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