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
4
Annotation Hits

0
References

10
Patents

230.03613 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.04341 145.4
[M+Na]+ 253.02535 152.2
[M-H]- 229.02885 147.9
[M+NH4]+ 248.06995 162.1
[M+K]+ 268.99929 149.4
[M+H-H2O]+ 213.03339 139.1
[M+HCOO]- 275.03433 164.0
[M+CH3COO]- 289.04998 187.8
[M+Na-2H]- 251.01080 150.4
[M]+ 230.03558 146.3
[M]- 230.03668 146.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe