PubChemLite - Ramipril (C23H32N2O5)

Structural Information

Molecular Formula

SMILES

CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2[C@H]3CCC[C@H]3C[C@H]2C(=O)O

InChI

InChI=1S/C23H32N2O5/c1-3-30-23(29)18(13-12-16-8-5-4-6-9-16)24-15(2)21(26)25-19-11-7-10-17(19)14-20(25)22(27)28/h4-6,8-9,15,17-20,24H,3,7,10-14H2,1-2H3,(H,27,28)/t15-,17-,18-,19-,20-/m0/s1

InChIKey

HDACQVRGBOVJII-JBDAPHQKSA-N

Compound name

(2S,3aS,6aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-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]+	417.23838	200.5
[M+Na]+	439.22032	204.1
[M+NH4]+	434.26492	204.0
[M+K]+	455.19426	205.4
[M-H]-	415.22382	199.7
[M+Na-2H]-	437.20577	199.3
[M]+	416.23055	199.9
[M]-	416.23165	199.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

417.23838

200.5

[M+Na]+

439.22032

204.1

[M+NH4]+

434.26492

204.0

[M+K]+

455.19426

205.4

[M-H]-

415.22382

199.7

[M+Na-2H]-

437.20577

199.3

[M]+

416.23055

199.9

[M]-

416.23165

199.9

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

Ramipril

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe