CID 57703964

Perindopril diketopiperazine

Structural Information

Molecular Formula
C19H30N2O4
SMILES
CCC[C@@H](C(=O)OCC)N1[C@H](C(=O)N2[C@H]3CCCC[C@H]3C[C@H]2C1=O)C
InChI
InChI=1S/C19H30N2O4/c1-4-8-15(19(24)25-5-2)20-12(3)17(22)21-14-10-7-6-9-13(14)11-16(21)18(20)23/h12-16H,4-11H2,1-3H3/t12-,13-,14-,15-,16-/m0/s1
InChIKey
BSZZSBSELAVBAG-QXKUPLGCSA-N
Compound name
ethyl (2S)-2-[(3S,5aS,9aS,10aS)-3-methyl-1,4-dioxo-5a,6,7,8,9,9a,10,10a-octahydro-3H-pyrazino[1,2-a]indol-2-yl]pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

350.22055 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.22783 186.1
[M+Na]+ 373.20977 193.2
[M+NH4]+ 368.25437 191.6
[M+K]+ 389.18371 190.3
[M-H]- 349.21327 184.8
[M+Na-2H]- 371.19522 183.1
[M]+ 350.22000 186.2
[M]- 350.22110 186.2
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

patents stripe