CID 458881

4-(4-aminophenyl)sulfonyl-3-methyl-aniline

Structural Information

Molecular Formula
C13H14N2O2S
SMILES
CC1=C(C=CC(=C1)N)S(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C13H14N2O2S/c1-9-8-11(15)4-7-13(9)18(16,17)12-5-2-10(14)3-6-12/h2-8H,14-15H2,1H3
InChIKey
BRPXBJODQREJGE-UHFFFAOYSA-N
Compound name
4-(4-aminophenyl)sulfonyl-3-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

262.0776 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.08488 157.1
[M+Na]+ 285.06682 166.0
[M-H]- 261.07032 163.7
[M+NH4]+ 280.11142 173.4
[M+K]+ 301.04076 160.7
[M+H-H2O]+ 245.07486 150.1
[M+HCOO]- 307.07580 176.4
[M+CH3COO]- 321.09145 198.0
[M+Na-2H]- 283.05227 160.3
[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