CID 542022

3-carboxy mefenamic acid

Structural Information

Molecular Formula
C15H13NO4
SMILES
CC1=C(C=CC=C1NC2=CC=CC=C2C(=O)O)C(=O)O
InChI
InChI=1S/C15H13NO4/c1-9-10(14(17)18)6-4-8-12(9)16-13-7-3-2-5-11(13)15(19)20/h2-8,16H,1H3,(H,17,18)(H,19,20)
InChIKey
OOQQWHSTKBWQPB-UHFFFAOYSA-N
Compound name
3-(2-carboxyanilino)-2-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

271.08447 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.09175 159.2
[M+Na]+ 294.07369 166.0
[M-H]- 270.07719 163.8
[M+NH4]+ 289.11829 173.5
[M+K]+ 310.04763 162.5
[M+H-H2O]+ 254.08173 151.9
[M+HCOO]- 316.08267 180.4
[M+CH3COO]- 330.09832 197.3
[M+Na-2H]- 292.05914 161.7
[M]+ 271.08392 158.4
[M]- 271.08502 158.4
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.