CID 3732577

4-(methylsulfonamido)aniline

Structural Information

Molecular Formula

C₇H₁₀N₂O₂S

SMILES

CS(=O)(=O)NC1=CC=C(C=C1)N

InChI

InChI=1S/C7H10N2O2S/c1-12(10,11)9-7-4-2-6(8)3-5-7/h2-5,9H,8H2,1H3

InChIKey

ZGZFEDUYJFEJAW-UHFFFAOYSA-N

Compound name

N-(4-aminophenyl)methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 699
Patents: 186.0463 Da
Monoisotopic Mass: 0.5
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]+	187.05358	135.7
[M+Na]+	209.03552	144.0
[M-H]-	185.03902	139.4
[M+NH4]+	204.08012	155.2
[M+K]+	225.00946	140.9
[M+H-H2O]+	169.04356	129.9
[M+HCOO]-	231.04450	156.1
[M+CH3COO]-	245.06015	182.1
[M+Na-2H]-	207.02097	141.3
[M]+	186.04575	135.7
[M]-	186.04685	135.7

Literature stripe

literature stripe

Patent stripe

patents stripe