CID 169501867

Amlodipine metabolite m10

Structural Information

Molecular Formula

C₂₀H₂₂ClNO₆

SMILES

CCOC(=O)C1=C(C(=C(N=C1COCCO)C)C(=O)OC)C2=CC=CC=C2Cl

InChI

InChI=1S/C20H22ClNO6/c1-4-28-20(25)18-15(11-27-10-9-23)22-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,23H,4,9-11H2,1-3H3

InChIKey

GENKLQVQPHBQHA-UHFFFAOYSA-N

Compound name

3-O-ethyl 5-O-methyl 4-(2-chlorophenyl)-2-(2-hydroxyethoxymethyl)-6-methylpyridine-3,5-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 407.11356 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

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]+	408.120836	190.9
[M+Na]+	430.102778	199.1
[M-H]-	406.106284	195.4
[M+NH4]+	425.147383	201.0
[M+K]+	446.076718	195.3
[M+H-H2O]+	390.110820	182.8
[M+HCOO]-	452.111761	205.6
[M+CH3COO]-	466.127411	221.0
[M+Na-2H]-	428.088226	189.7
[M]+	407.11301142	200.9
[M]-	407.11410858	200.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.