PubChemLite - Fosinoprilat (C23H34NO5P)

Structural Information

Molecular Formula

SMILES

C1CCC(CC1)[C@@H]2C[C@H](N(C2)C(=O)CP(=O)(CCCCC3=CC=CC=C3)O)C(=O)O

InChI

InChI=1S/C23H34NO5P/c25-22(17-30(28,29)14-8-7-11-18-9-3-1-4-10-18)24-16-20(15-21(24)23(26)27)19-12-5-2-6-13-19/h1,3-4,9-10,19-21H,2,5-8,11-17H2,(H,26,27)(H,28,29)/t20-,21+/m1/s1

InChIKey

WOIWWYDXDVSWAZ-RTWAWAEBSA-N

Compound name

(2S,4S)-4-cyclohexyl-1-[2-[hydroxy(4-phenylbutyl)phosphoryl]acetyl]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]+	436.22475	206.4
[M+Na]+	458.20669	204.8
[M-H]-	434.21019	208.4
[M+NH4]+	453.25129	213.9
[M+K]+	474.18063	201.1
[M+H-H2O]+	418.21473	195.2
[M+HCOO]-	480.21567	221.0
[M+CH3COO]-	494.23132	223.0
[M+Na-2H]-	456.19214	198.1
[M]+	435.21692	201.1
[M]-	435.21802	201.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

436.22475

206.4

[M+Na]+

458.20669

204.8

[M-H]-

434.21019

208.4

[M+NH4]+

453.25129

213.9

[M+K]+

474.18063

201.1

[M+H-H2O]+

418.21473

195.2

[M+HCOO]-

480.21567

221.0

[M+CH3COO]-

494.23132

223.0

[M+Na-2H]-

456.19214

198.1

[M]+

435.21692

201.1

[M]-

435.21802

201.1

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

Fosinoprilat

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe