CID 44392435

Chembl183913

Structural Information

Molecular Formula

C₇H₁₁N₃O₂S

SMILES

CN(C1=CC=C(C=C1)S(=O)(=O)N)N

InChI

InChI=1S/C7H11N3O2S/c1-10(8)6-2-4-7(5-3-6)13(9,11)12/h2-5H,8H2,1H3,(H2,9,11,12)

InChIKey

XGAFGUJHKUYKIM-UHFFFAOYSA-N

Compound name

4-[amino(methyl)amino]benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 201.0572 Da
Monoisotopic Mass: 0.0
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]+	202.064476	139.5
[M+Na]+	224.046418	146.9
[M-H]-	200.049924	144.0
[M+NH4]+	219.091023	158.3
[M+K]+	240.020358	144.9
[M+H-H2O]+	184.054460	132.9
[M+HCOO]-	246.055401	160.5
[M+CH3COO]-	260.071051	190.1
[M+Na-2H]-	222.031866	143.9
[M]+	201.05665142	138.9
[M]-	201.05774858	138.9

Literature stripe

literature stripe

Patent stripe

patents stripe