CID 169501892

Ethosuximide metabolite ii-glucuronide (2-(1-hydroxyethyl)-2-methylsuccinimide-glucuronide)

Structural Information

Molecular Formula
C13H19NO9
SMILES
CC(C1(CC(=O)NC1=O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
InChI
InChI=1S/C13H19NO9/c1-4(13(2)3-5(15)14-12(13)21)22-11-8(18)6(16)7(17)9(23-11)10(19)20/h4,6-9,11,16-18H,3H2,1-2H3,(H,19,20)(H,14,15,21)/t4?,6-,7-,8+,9-,11+,13?/m0/s1
InChIKey
HLIMCSZHBGEREB-ZBUBTJQASA-N
Compound name
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-(3-methyl-2,5-dioxopyrrolidin-3-yl)ethoxy]oxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.106 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.11328 171.4
[M+Na]+ 356.09522 175.5
[M+NH4]+ 351.13982 173.9
[M+K]+ 372.06916 177.5
[M-H]- 332.09872 167.9
[M+Na-2H]- 354.08067 168.6
[M]+ 333.10545 170.1
[M]- 333.10655 170.1
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.