CID 179962

Perindoprilat glucuronide

Structural Information

Molecular Formula
C23H36N2O11
SMILES
CCC(C(=O)O)NC(C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)C)O)O)O)C(=O)O
InChI
InChI=1S/C23H36N2O11/c1-4-13(20(30)31)24-10(2)19(29)25-14-8-6-5-7-12(14)9-15(25)21(32)36-23(22(33)34)18(28)17(27)16(26)11(3)35-23/h10-18,24,26-28H,4-9H2,1-3H3,(H,30,31)(H,33,34)/t10?,11-,12+,13?,14+,15+,16-,17+,18-,23-/m1/s1
InChIKey
DCYRDAKXQLERQS-FQCHSDBKSA-N
Compound name
(2R,3R,4S,5S,6R)-2-[(2S,3aS,7aS)-1-[2-(1-carboxypropylamino)propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]oxy-3,4,5-trihydroxy-6-methyloxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

516.23193 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.23921 212.4
[M+Na]+ 539.22115 209.9
[M-H]- 515.22465 210.4
[M+NH4]+ 534.26575 215.9
[M+K]+ 555.19509 212.6
[M+H-H2O]+ 499.22919 208.3
[M+HCOO]- 561.23013 211.9
[M+CH3COO]- 575.24578 241.7
[M+Na-2H]- 537.20660 234.0
[M]+ 516.23138 208.5
[M]- 516.23248 208.5
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.