PubChemLite - Perindopril (C19H32N2O5)

Structural Information

Molecular Formula

SMILES

CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O

InChI

InChI=1S/C19H32N2O5/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24/h12-16,20H,4-11H2,1-3H3,(H,23,24)/t12-,13-,14-,15-,16-/m0/s1

InChIKey

IPVQLZZIHOAWMC-QXKUPLGCSA-N

Compound name

(2S,3aS,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-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]+	369.23838	190.9
[M+Na]+	391.22032	190.7
[M-H]-	367.22382	190.4
[M+NH4]+	386.26492	202.9
[M+K]+	407.19426	189.6
[M+H-H2O]+	351.22836	184.0
[M+HCOO]-	413.22930	201.6
[M+CH3COO]-	427.24495	219.0
[M+Na-2H]-	389.20577	184.2
[M]+	368.23055	188.6
[M]-	368.23165	188.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

369.23838

190.9

[M+Na]+

391.22032

190.7

[M-H]-

367.22382

190.4

[M+NH4]+

386.26492

202.9

[M+K]+

407.19426

189.6

[M+H-H2O]+

351.22836

184.0

[M+HCOO]-

413.22930

201.6

[M+CH3COO]-

427.24495

219.0

[M+Na-2H]-

389.20577

184.2

[M]+

368.23055

188.6

[M]-

368.23165

188.6

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

Perindopril

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe