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]+ 517.239206 212.4
[M+Na]+ 539.221148 209.9
[M-H]- 515.224654 210.4
[M+NH4]+ 534.265753 215.9
[M+K]+ 555.195088 212.6
[M+H-H2O]+ 499.229190 208.3
[M+HCOO]- 561.230131 211.9
[M+CH3COO]- 575.245781 241.7
[M+Na-2H]- 537.206596 234.0
[M]+ 516.23138142 208.5
[M]- 516.23247858 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.