CID 14520363

Ramipril diketopiperazine

Structural Information

Molecular Formula
C23H30N2O4
SMILES
CCOC(=O)[C@H](CCC1=CC=CC=C1)N2[C@H](C(=O)N3[C@H]4CCC[C@H]4C[C@H]3C2=O)C
InChI
InChI=1S/C23H30N2O4/c1-3-29-23(28)19(13-12-16-8-5-4-6-9-16)24-15(2)21(26)25-18-11-7-10-17(18)14-20(25)22(24)27/h4-6,8-9,15,17-20H,3,7,10-14H2,1-2H3/t15-,17-,18-,19-,20-/m0/s1
InChIKey
KOVMAAYRBJCASY-JBDAPHQKSA-N
Compound name
ethyl (2S)-2-[(2S,6S,8S,11S)-11-methyl-9,12-dioxo-1,10-diazatricyclo[6.4.0.02,6]dodecan-10-yl]-4-phenylbutanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

54
Patents

398.22055 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.22783 197.8
[M+Na]+ 421.20977 205.9
[M+NH4]+ 416.25437 203.6
[M+K]+ 437.18371 204.1
[M-H]- 397.21327 198.7
[M+Na-2H]- 419.19522 197.1
[M]+ 398.22000 198.7
[M]- 398.22110 198.7
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