PubChemLite - Moveltipril calcium (C19H30N2O5S)

Structural Information

Molecular Formula

SMILES

C[C@H](CSC(=O)[C@@H](C)NC(=O)C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)O

InChI

InChI=1S/C19H30N2O5S/c1-12(17(23)21-10-6-9-15(21)18(24)25)11-27-19(26)13(2)20-16(22)14-7-4-3-5-8-14/h12-15H,3-11H2,1-2H3,(H,20,22)(H,24,25)/t12-,13-,15+/m1/s1

InChIKey

QIJLJZOGPPQCOG-NFAWXSAZSA-N

Compound name

(2S)-1-[(2S)-3-[(2R)-2-(cyclohexanecarbonylamino)propanoyl]sulfanyl-2-methylpropanoyl]pyrrolidine-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]+	399.19481	196.6
[M+Na]+	421.17675	194.4
[M-H]-	397.18025	198.0
[M+NH4]+	416.22135	206.2
[M+K]+	437.15069	193.0
[M+H-H2O]+	381.18479	189.4
[M+HCOO]-	443.18573	201.7
[M+CH3COO]-	457.20138	219.4
[M+Na-2H]-	419.16220	186.6
[M]+	398.18698	192.6
[M]-	398.18808	192.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

399.19481

196.6

[M+Na]+

421.17675

194.4

[M-H]-

397.18025

198.0

[M+NH4]+

416.22135

206.2

[M+K]+

437.15069

193.0

[M+H-H2O]+

381.18479

189.4

[M+HCOO]-

443.18573

201.7

[M+CH3COO]-

457.20138

219.4

[M+Na-2H]-

419.16220

186.6

[M]+

398.18698

192.6

[M]-

398.18808

192.6

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

Moveltipril calcium

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe