CID 19756871

145878-34-8

Structural Information

Molecular Formula

C₆H₉N₃O₂S

SMILES

C1=CC(=CC(=C1)NS(=O)(=O)N)N

InChI

InChI=1S/C6H9N3O2S/c7-5-2-1-3-6(4-5)9-12(8,10)11/h1-4,9H,7H2,(H2,8,10,11)

InChIKey

FXCZOYHASUCPTG-UHFFFAOYSA-N

Compound name

1-amino-3-(sulfamoylamino)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 187.04155 Da
Monoisotopic Mass: -0.3
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]+	188.048826	134.6
[M+Na]+	210.030768	142.3
[M-H]-	186.034274	137.7
[M+NH4]+	205.075373	153.2
[M+K]+	226.004708	138.9
[M+H-H2O]+	170.038810	128.3
[M+HCOO]-	232.039751	155.4
[M+CH3COO]-	246.055401	183.8
[M+Na-2H]-	208.016216	140.1
[M]+	187.04100142	132.3
[M]-	187.04209858	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe