CID 610738

3-hydroxymethyl mefenamic acid

Structural Information

Molecular Formula
C15H15NO3
SMILES
CC1=C(C=CC=C1NC2=CC=CC=C2C(=O)O)CO
InChI
InChI=1S/C15H15NO3/c1-10-11(9-17)5-4-8-13(10)16-14-7-3-2-6-12(14)15(18)19/h2-8,16-17H,9H2,1H3,(H,18,19)
InChIKey
QBONJEHEDCBRMZ-UHFFFAOYSA-N
Compound name
2-[3-(hydroxymethyl)-2-methylanilino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

257.1052 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.112476 157.4
[M+Na]+ 280.094418 164.4
[M-H]- 256.097924 161.9
[M+NH4]+ 275.139023 172.6
[M+K]+ 296.068358 160.2
[M+H-H2O]+ 240.102460 150.2
[M+HCOO]- 302.103401 179.3
[M+CH3COO]- 316.119051 194.8
[M+Na-2H]- 278.079866 161.0
[M]+ 257.10465142 156.6
[M]- 257.10574858 156.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe