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]+	417.238376	203.3
[M+Na]+	439.220318	202.9
[M-H]-	415.223824	206.7
[M+NH4]+	434.264923	214.7
[M+K]+	455.194258	200.9
[M+H-H2O]+	399.228360	195.8
[M+HCOO]-	461.229301	216.3
[M+CH3COO]-	475.244951	226.1
[M+Na-2H]-	437.205766	195.5
[M]+	416.23055142	202.1
[M]-	416.23164858	202.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

417.238376

203.3

[M+Na]+

439.220318

202.9

[M-H]-

415.223824

206.7

[M+NH4]+

434.264923

214.7

[M+K]+

455.194258

200.9

[M+H-H2O]+

399.228360

195.8

[M+HCOO]-

461.229301

216.3

[M+CH3COO]-

475.244951

226.1

[M+Na-2H]-

437.205766

195.5

[M]+

416.23055142

202.1

[M]-

416.23164858

202.1

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