Enalapril (C20H28N2O5)

Structural Information

Molecular Formula

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

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	377.207106	191.7
[M+Na]+	399.189048	192.0
[M-H]-	375.192554	194.2
[M+NH4]+	394.233653	201.9
[M+K]+	415.162988	190.5
[M+H-H2O]+	359.197090	183.1
[M+HCOO]-	421.198031	206.8
[M+CH3COO]-	435.213681	217.9
[M+Na-2H]-	397.174496	186.2
[M]+	376.19928142	190.9
[M]-	376.20037858	190.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

377.207106

191.7

[M+Na]+

399.189048

192.0

[M-H]-

375.192554

194.2

[M+NH4]+

394.233653

201.9

[M+K]+

415.162988

190.5

[M+H-H2O]+

359.197090

183.1

[M+HCOO]-

421.198031

206.8

[M+CH3COO]-

435.213681

217.9

[M+Na-2H]-

397.174496

186.2

[M]+

376.19928142

190.9

[M]-

376.20037858

190.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Enalapril

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe