PubChemLite - Lacidipine (C26H33NO6)

Structural Information

Molecular Formula

SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2/C=C/C(=O)OC(C)(C)C)C(=O)OCC)C)C

InChI

InChI=1S/C26H33NO6/c1-8-31-24(29)21-16(3)27-17(4)22(25(30)32-9-2)23(21)19-13-11-10-12-18(19)14-15-20(28)33-26(5,6)7/h10-15,23,27H,8-9H2,1-7H3/b15-14+

InChIKey

GKQPCPXONLDCMU-CCEZHUSRSA-N

Compound name

diethyl 2,6-dimethyl-4-[2-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate

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]+	456.23805	210.1
[M+Na]+	478.21999	214.8
[M-H]-	454.22349	213.7
[M+NH4]+	473.26459	217.2
[M+K]+	494.19393	211.7
[M+H-H2O]+	438.22803	201.5
[M+HCOO]-	500.22897	223.6
[M+CH3COO]-	514.24462	233.5
[M+Na-2H]-	476.20544	205.5
[M]+	455.23022	215.8
[M]-	455.23132	215.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

456.23805

210.1

[M+Na]+

478.21999

214.8

[M-H]-

454.22349

213.7

[M+NH4]+

473.26459

217.2

[M+K]+

494.19393

211.7

[M+H-H2O]+

438.22803

201.5

[M+HCOO]-

500.22897

223.6

[M+CH3COO]-

514.24462

233.5

[M+Na-2H]-

476.20544

205.5

[M]+

455.23022

215.8

[M]-

455.23132

215.8

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

Lacidipine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe