CID 5464096

Ramiprilat

Structural Information

Molecular Formula
C21H28N2O5
SMILES
C[C@@H](C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(=O)O)N[C@@H](CCC3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C21H28N2O5/c1-13(22-16(20(25)26)11-10-14-6-3-2-4-7-14)19(24)23-17-9-5-8-15(17)12-18(23)21(27)28/h2-4,6-7,13,15-18,22H,5,8-12H2,1H3,(H,25,26)(H,27,28)/t13-,15-,16-,17-,18-/m0/s1
InChIKey
KEDYTOTWMPBSLG-HILJTLORSA-N
Compound name
(2S,3aS,6aS)-1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

178
References

2497
Patents

388.19983 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.20711 192.1
[M+Na]+ 411.18905 195.6
[M+NH4]+ 406.23365 195.6
[M+K]+ 427.16299 197.6
[M-H]- 387.19255 190.8
[M+Na-2H]- 409.17450 190.8
[M]+ 388.19928 191.3
[M]- 388.20038 191.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe