CID 45040207

Perindopril acyl-alpha-d-glucuronide

Structural Information

Molecular Formula
C25H40N2O11
SMILES
CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2CC1C(=O)OC3C(C(C(C(O3)C(=O)O)O)O)O
InChI
InChI=1S/C25H40N2O11/c1-4-8-14(23(34)36-5-2)26-12(3)21(31)27-15-10-7-6-9-13(15)11-16(27)24(35)38-25-19(30)17(28)18(29)20(37-25)22(32)33/h12-20,25-26,28-30H,4-11H2,1-3H3,(H,32,33)/t12-,13-,14-,15-,16?,17?,18?,19?,20?,25?/m0/s1
InChIKey
VEYBPHDESXGJIN-VEYQHAJCSA-N
Compound name
6-[(3aS,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

544.2632 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 545.27048 220.0
[M+Na]+ 567.25242 218.4
[M+NH4]+ 562.29702 218.1
[M+K]+ 583.22636 224.2
[M-H]- 543.25592 215.7
[M+Na-2H]- 565.23787 211.3
[M]+ 544.26265 217.1
[M]- 544.26375 217.1
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.