PubChemLite - Lisinopril specified impurity f (C21H37N3O5)

Structural Information

Molecular Formula

SMILES

C1CCC(CC1)CC[C@@H](C(=O)O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)O

InChI

InChI=1S/C21H37N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h15-18,23H,1-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1

InChIKey

QYSKCMYFYQRFSL-BZSNNMDCSA-N

Compound name

(2S)-1-[(2S)-6-amino-2-[[(1S)-1-carboxy-3-cyclohexylpropyl]amino]hexanoyl]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]+	412.28060	201.4
[M+Na]+	434.26254	196.8
[M-H]-	410.26604	200.4
[M+NH4]+	429.30714	208.5
[M+K]+	450.23648	195.0
[M+H-H2O]+	394.27058	192.7
[M+HCOO]-	456.27152	210.6
[M+CH3COO]-	470.28717	225.6
[M+Na-2H]-	432.24799	192.0
[M]+	411.27277	193.2
[M]-	411.27387	193.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

412.28060

201.4

[M+Na]+

434.26254

196.8

[M-H]-

410.26604

200.4

[M+NH4]+

429.30714

208.5

[M+K]+

450.23648

195.0

[M+H-H2O]+

394.27058

192.7

[M+HCOO]-

456.27152

210.6

[M+CH3COO]-

470.28717

225.6

[M+Na-2H]-

432.24799

192.0

[M]+

411.27277

193.2

[M]-

411.27387

193.2

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

Lisinopril specified impurity f

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe