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
9
Annotation Hits

7679
References

121380
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 191.7
[M+Na]+ 399.18905 192.0
[M-H]- 375.19255 194.2
[M+NH4]+ 394.23365 201.9
[M+K]+ 415.16299 190.5
[M+H-H2O]+ 359.19709 183.1
[M+HCOO]- 421.19803 206.8
[M+CH3COO]- 435.21368 217.9
[M+Na-2H]- 397.17450 186.2
[M]+ 376.19928 190.9
[M]- 376.20038 190.9
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

No patent data available for this compound.