Ramiprilat (C21H28N2O5)

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)O

InChI

InChI=1S/C21H28N2O5/c1-13(22-16(20(25)26)11-10-14-6-3-2-4-7-14)19(24)23-17-9-5-8-15(17)12-18(23)21(27)28/h2-4,6-7,13,15-18,22H,5,8-12H2,1H3,(H,25,26)(H,27,28)/t13-,15-,16-,17-,18-/m0/s1

InChIKey

KEDYTOTWMPBSLG-HILJTLORSA-N

Compound name

(2S,3aS,6aS)-1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]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]+	389.207106	194.0
[M+Na]+	411.189048	194.0
[M-H]-	387.192554	196.4
[M+NH4]+	406.233653	205.8
[M+K]+	427.162988	191.7
[M+H-H2O]+	371.197090	187.1
[M+HCOO]-	433.198031	206.1
[M+CH3COO]-	447.213681	218.9
[M+Na-2H]-	409.174496	186.8
[M]+	388.19928142	190.5
[M]-	388.20037858	190.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

389.207106

194.0

[M+Na]+

411.189048

194.0

[M-H]-

387.192554

196.4

[M+NH4]+

406.233653

205.8

[M+K]+

427.162988

191.7

[M+H-H2O]+

371.197090

187.1

[M+HCOO]-

433.198031

206.1

[M+CH3COO]-

447.213681

218.9

[M+Na-2H]-

409.174496

186.8

[M]+

388.19928142

190.5

[M]-

388.20037858

190.5

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

Ramiprilat

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe