CID 5462501

Enalaprilat

Structural Information

Molecular Formula
C18H24N2O5
SMILES
C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@@H](CCC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1
InChIKey
LZFZMUMEGBBDTC-QEJZJMRPSA-N
Compound name
(2S)-1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

1013
References

13879
Patents

348.16852 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.17580 182.1
[M+Na]+ 371.15774 186.9
[M+NH4]+ 366.20234 185.1
[M+K]+ 387.13168 187.2
[M-H]- 347.16124 180.7
[M+Na-2H]- 369.14319 182.7
[M]+ 348.16797 181.5
[M]- 348.16907 181.5
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