CID 59253360

Perindoprilat lactam b

Structural Information

Molecular Formula
C17H26N2O4
SMILES
CCC[C@@H](C(=O)O)N1[C@H](C(=O)N2[C@H]3CCCC[C@H]3C[C@@H]2C1=O)C
InChI
InChI=1S/C17H26N2O4/c1-3-6-13(17(22)23)18-10(2)15(20)19-12-8-5-4-7-11(12)9-14(19)16(18)21/h10-14H,3-9H2,1-2H3,(H,22,23)/t10-,11-,12-,13-,14+/m0/s1
InChIKey
GBVXUKWRYVJUFG-HTVCTNPSSA-N
Compound name
(2S)-2-[(3S,5aS,9aS,10aR)-3-methyl-1,4-dioxo-5a,6,7,8,9,9a,10,10a-octahydro-3H-pyrazino[1,2-a]indol-2-yl]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

322.18927 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.19655 177.7
[M+Na]+ 345.17849 184.6
[M+NH4]+ 340.22309 183.1
[M+K]+ 361.15243 182.5
[M-H]- 321.18199 175.9
[M+Na-2H]- 343.16394 174.5
[M]+ 322.18872 177.5
[M]- 322.18982 177.5
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.