CID 653734

90250-68-3

Structural Information

Molecular Formula

C₉H₁₂N₂O₄S

SMILES

CN(C)S(=O)(=O)NC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C9H12N2O4S/c1-11(2)16(14,15)10-8-5-3-7(4-6-8)9(12)13/h3-6,10H,1-2H3,(H,12,13)

InChIKey

GIHVRYUPCABTQW-UHFFFAOYSA-N

Compound name

4-(dimethylsulfamoylamino)benzoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 7
References: 6
Patents: 244.05177 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]+	245.05905	151.3
[M+Na]+	267.04099	159.4
[M+NH4]+	262.08559	157.0
[M+K]+	283.01493	155.0
[M-H]-	243.04449	151.3
[M+Na-2H]-	265.02644	155.4
[M]+	244.05122	152.5
[M]-	244.05232	152.5

Literature stripe

literature stripe

Patent stripe

patents stripe