PubChemLite - Ramipril isopropyl ester (C24H34N2O5)

Structural Information

Molecular Formula

SMILES

C[C@@H](C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(=O)O)N[C@@H](CCC3=CC=CC=C3)C(=O)OC(C)C

InChI

InChI=1S/C24H34N2O5/c1-15(2)31-24(30)19(13-12-17-8-5-4-6-9-17)25-16(3)22(27)26-20-11-7-10-18(20)14-21(26)23(28)29/h4-6,8-9,15-16,18-21,25H,7,10-14H2,1-3H3,(H,28,29)/t16-,18-,19-,20-,21-/m0/s1

InChIKey

WJWHJJCWHNPKTH-MQBSTWLZSA-N

Compound name

(2S,3aS,6aS)-1-[(2S)-2-[[(2S)-1-oxo-4-phenyl-1-propan-2-yloxybutan-2-yl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-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]+	431.25405	207.6
[M+Na]+	453.23599	206.4
[M-H]-	429.23949	210.9
[M+NH4]+	448.28059	218.3
[M+K]+	469.20993	204.9
[M+H-H2O]+	413.24403	200.3
[M+HCOO]-	475.24497	219.2
[M+CH3COO]-	489.26062	230.0
[M+Na-2H]-	451.22144	198.2
[M]+	430.24622	206.2
[M]-	430.24732	206.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

431.25405

207.6

[M+Na]+

453.23599

206.4

[M-H]-

429.23949

210.9

[M+NH4]+

448.28059

218.3

[M+K]+

469.20993

204.9

[M+H-H2O]+

413.24403

200.3

[M+HCOO]-

475.24497

219.2

[M+CH3COO]-

489.26062

230.0

[M+Na-2H]-

451.22144

198.2

[M]+

430.24622

206.2

[M]-

430.24732

206.2

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

Ramipril isopropyl ester

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe