CID 22976826

3-(methylamino)benzene-1-sulfonamide

Structural Information

Molecular Formula

C₇H₁₀N₂O₂S

SMILES

CNC1=CC(=CC=C1)S(=O)(=O)N

InChI

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

InChIKey

DPLHWJMPSDPIGT-UHFFFAOYSA-N

Compound name

3-(methylamino)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 186.0463 Da
Monoisotopic Mass: 0.7
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	137.3
[M+Na]+	209.03552	147.3
[M+NH4]+	204.08012	145.0
[M+K]+	225.00946	140.9
[M-H]-	185.03902	139.1
[M+Na-2H]-	207.02097	143.1
[M]+	186.04575	139.5
[M]-	186.04685	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe