CID 20116535

5-acetamido-2-methanesulfonamidobenzoic acid

Structural Information

Molecular Formula
C10H12N2O5S
SMILES
CC(=O)NC1=CC(=C(C=C1)NS(=O)(=O)C)C(=O)O
InChI
InChI=1S/C10H12N2O5S/c1-6(13)11-7-3-4-9(12-18(2,16)17)8(5-7)10(14)15/h3-5,12H,1-2H3,(H,11,13)(H,14,15)
InChIKey
VQEJIWHHKQFWPB-UHFFFAOYSA-N
Compound name
5-acetamido-2-(methanesulfonamido)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.0467 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.053976 156.0
[M+Na]+ 295.035918 162.5
[M-H]- 271.039424 158.5
[M+NH4]+ 290.080523 171.0
[M+K]+ 311.009858 160.0
[M+H-H2O]+ 255.043960 149.5
[M+HCOO]- 317.044901 173.2
[M+CH3COO]- 331.060551 196.8
[M+Na-2H]- 293.021366 158.6
[M]+ 272.04615142 158.0
[M]- 272.04724858 158.0
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.