CID 128135

Mefenamic acid glucuronide

Structural Information

Molecular Formula
C21H23NO8
SMILES
CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C
InChI
InChI=1S/C21H23NO8/c1-10-6-5-9-13(11(10)2)22-14-8-4-3-7-12(14)20(28)30-21-17(25)15(23)16(24)18(29-21)19(26)27/h3-9,15-18,21-25H,1-2H3,(H,26,27)/t15-,16-,17+,18-,21-/m0/s1
InChIKey
DAHIGOGKMFBIOR-CURYNPBISA-N
Compound name
(2S,3S,4S,5R,6S)-6-[2-(2,3-dimethylanilino)benzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

417.14236 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.14964 197.3
[M+Na]+ 440.13158 206.8
[M+NH4]+ 435.17618 200.2
[M+K]+ 456.10552 204.8
[M-H]- 416.13508 200.5
[M+Na-2H]- 438.11703 199.4
[M]+ 417.14181 199.1
[M]- 417.14291 199.1
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

No patent data available for this compound.