CID 14962498

Enalapril diketopiperazine

Structural Information

Molecular Formula
C20H26N2O4
SMILES
CCOC(=O)[C@H](CCC1=CC=CC=C1)N2[C@H](C(=O)N3CCC[C@H]3C2=O)C
InChI
InChI=1S/C20H26N2O4/c1-3-26-20(25)17(12-11-15-8-5-4-6-9-15)22-14(2)18(23)21-13-7-10-16(21)19(22)24/h4-6,8-9,14,16-17H,3,7,10-13H2,1-2H3/t14-,16-,17-/m0/s1
InChIKey
BMZHNHHJUGMMLV-XIRDDKMYSA-N
Compound name
ethyl (2S)-2-[(3S,8aS)-3-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]-4-phenylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

358.18927 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.19655 186.8
[M+Na]+ 381.17849 196.1
[M+NH4]+ 376.22309 192.1
[M+K]+ 397.15243 192.6
[M-H]- 357.18199 187.5
[M+Na-2H]- 379.16394 188.3
[M]+ 358.18872 187.8
[M]- 358.18982 187.8
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