CID 458884

N-(4-aminophenyl)-4-methylbenzenesulfonamide

Structural Information

Molecular Formula

C₁₃H₁₄N₂O₂S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)N

InChI

InChI=1S/C13H14N2O2S/c1-10-2-8-13(9-3-10)18(16,17)15-12-6-4-11(14)5-7-12/h2-9,15H,14H2,1H3

InChIKey

XKDFMOOUKPSLEM-UHFFFAOYSA-N

Compound name

N-(4-aminophenyl)-4-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 106
Patents: 262.0776 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	263.08488	157.3
[M+Na]+	285.06682	169.5
[M+NH4]+	280.11142	165.3
[M+K]+	301.04076	161.4
[M-H]-	261.07032	161.8
[M+Na-2H]-	283.05227	165.8
[M]+	262.07705	160.7
[M]-	262.07815	160.7

Literature stripe

literature stripe

Patent stripe

patents stripe