CID 5388962

Enalapril

Structural Information

Molecular Formula
C20H28N2O5
SMILES
CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O
InChI
InChI=1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)/t14-,16-,17-/m0/s1
InChIKey
GBXSMTUPTTWBMN-XIRDDKMYSA-N
Compound name
(2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

7674
References

81850
Patents

376.19983 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.20711 190.4
[M+Na]+ 399.18905 195.3
[M+NH4]+ 394.23365 193.4
[M+K]+ 415.16299 194.9
[M-H]- 375.19255 189.4
[M+Na-2H]- 397.17450 191.1
[M]+ 376.19928 190.0
[M]- 376.20038 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

literature stripe

Patent stripe

patents stripe