CID 4044

Mefenamic acid

Structural Information

Molecular Formula

C₁₅H₁₅NO₂

SMILES

CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)O)C

InChI

InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)

InChIKey

HYYBABOKPJLUIN-UHFFFAOYSA-N

Compound name

2-(2,3-dimethylanilino)benzoic acid

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 1517
References: 69266
Patents: 241.11028 Da
Monoisotopic Mass: 5.1
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]+	242.11756	155.3
[M+Na]+	264.09950	169.1
[M+NH4]+	259.14410	163.4
[M+K]+	280.07344	162.2
[M-H]-	240.10300	159.9
[M+Na-2H]-	262.08495	163.8
[M]+	241.10973	158.5
[M]-	241.11083	158.5

Literature stripe

literature stripe

Patent stripe

patents stripe