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

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]+	272.091746	159.2
[M+Na]+	294.073688	166.0
[M-H]-	270.077194	163.8
[M+NH4]+	289.118293	173.5
[M+K]+	310.047628	162.5
[M+H-H2O]+	254.081730	151.9
[M+HCOO]-	316.082671	180.4
[M+CH3COO]-	330.098321	197.3
[M+Na-2H]-	292.059136	161.7
[M]+	271.08392142	158.4
[M]-	271.08501858	158.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.