PubChemLite - Imidapril (C20H27N3O6)

Structural Information

Molecular Formula

SMILES

CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2[C@@H](CN(C2=O)C)C(=O)O

InChI

InChI=1S/C20H27N3O6/c1-4-29-19(27)15(11-10-14-8-6-5-7-9-14)21-13(2)17(24)23-16(18(25)26)12-22(3)20(23)28/h5-9,13,15-16,21H,4,10-12H2,1-3H3,(H,25,26)/t13-,15-,16-/m0/s1

InChIKey

KLZWOWYOHUKJIG-BPUTZDHNSA-N

Compound name

(4S)-3-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-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]+	406.19725	194.8
[M+Na]+	428.17919	196.9
[M-H]-	404.18269	196.9
[M+NH4]+	423.22379	202.9
[M+K]+	444.15313	195.6
[M+H-H2O]+	388.18723	186.0
[M+HCOO]-	450.18817	209.0
[M+CH3COO]-	464.20382	224.8
[M+Na-2H]-	426.16464	188.6
[M]+	405.18942	196.1
[M]-	405.19052	196.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

406.19725

194.8

[M+Na]+

428.17919

196.9

[M-H]-

404.18269

196.9

[M+NH4]+

423.22379

202.9

[M+K]+

444.15313

195.6

[M+H-H2O]+

388.18723

186.0

[M+HCOO]-

450.18817

209.0

[M+CH3COO]-

464.20382

224.8

[M+Na-2H]-

426.16464

188.6

[M]+

405.18942

196.1

[M]-

405.19052

196.1

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

Imidapril

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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