CID 72022

Perindoprilat

Structural Information

Molecular Formula
C17H28N2O5
SMILES
CCC[C@@H](C(=O)O)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O
InChI
InChI=1S/C17H28N2O5/c1-3-6-12(16(21)22)18-10(2)15(20)19-13-8-5-4-7-11(13)9-14(19)17(23)24/h10-14,18H,3-9H2,1-2H3,(H,21,22)(H,23,24)/t10-,11-,12-,13-,14-/m0/s1
InChIKey
ODAIHABQVKJNIY-PEDHHIEDSA-N
Compound name
(2S,3aS,7aS)-1-[(2S)-2-[[(1S)-1-carboxybutyl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

119
References

1512
Patents

340.19983 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.20711 180.3
[M+Na]+ 363.18905 182.8
[M+NH4]+ 358.23365 183.4
[M+K]+ 379.16299 183.9
[M-H]- 339.19255 176.8
[M+Na-2H]- 361.17450 176.5
[M]+ 340.19928 178.6
[M]- 340.20038 178.6
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

patents stripe