CID 114805288

4-((n-methylsulfamoyl)amino)benzoic acid

Structural Information

Molecular Formula

C₈H₁₀N₂O₄S

SMILES

CNS(=O)(=O)NC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C8H10N2O4S/c1-9-15(13,14)10-7-4-2-6(3-5-7)8(11)12/h2-5,9-10H,1H3,(H,11,12)

InChIKey

QVBORSARTMCZBF-UHFFFAOYSA-N

Compound name

4-(methylsulfamoylamino)benzoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 10
Patents: 230.03613 Da
Monoisotopic Mass: 0.1
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]+	231.04341	147.2
[M+Na]+	253.02535	155.2
[M+NH4]+	248.06995	152.8
[M+K]+	268.99929	150.6
[M-H]-	229.02885	146.9
[M+Na-2H]-	251.01080	151.2
[M]+	230.03558	148.2
[M]-	230.03668	148.2

Literature stripe

literature stripe

Patent stripe

patents stripe