CID 170111

38758-15-5

Structural Information

Molecular Formula
C10H14N2O4S
SMILES
CC(C)NS(=O)(=O)NC1=CC=CC=C1C(=O)O
InChI
InChI=1S/C10H14N2O4S/c1-7(2)11-17(15,16)12-9-6-4-3-5-8(9)10(13)14/h3-7,11-12H,1-2H3,(H,13,14)
InChIKey
QYNUKEJTUODYDD-UHFFFAOYSA-N
Compound name
2-(propan-2-ylsulfamoylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0674 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07468 155.5
[M+Na]+ 281.05662 162.8
[M+NH4]+ 276.10122 160.7
[M+K]+ 297.03056 158.6
[M-H]- 257.06012 154.9
[M+Na-2H]- 279.04207 158.8
[M]+ 258.06685 156.3
[M]- 258.06795 156.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.