CID 69267073

Ramipril diketopiperazine acid

Structural Information

Molecular Formula
C21H26N2O4
SMILES
C[C@H]1C(=O)N2[C@H]3CCC[C@H]3C[C@H]2C(=O)N1[C@@H](CCC4=CC=CC=C4)C(=O)O
InChI
InChI=1S/C21H26N2O4/c1-13-19(24)23-16-9-5-8-15(16)12-18(23)20(25)22(13)17(21(26)27)11-10-14-6-3-2-4-7-14/h2-4,6-7,13,15-18H,5,8-12H2,1H3,(H,26,27)/t13-,15-,16-,17-,18-/m0/s1
InChIKey
DZRWPCCIYKIPJW-HILJTLORSA-N
Compound name
(2S)-2-[(2S,6S,8S,11S)-11-methyl-9,12-dioxo-1,10-diazatricyclo[6.4.0.02,6]dodecan-10-yl]-4-phenylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

370.18927 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.19655 189.3
[M+Na]+ 393.17849 197.3
[M+NH4]+ 388.22309 195.1
[M+K]+ 409.15243 196.2
[M-H]- 369.18199 189.7
[M+Na-2H]- 391.16394 188.5
[M]+ 370.18872 190.0
[M]- 370.18982 190.0
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