PubChemLite - Amlodipine (C20H25ClN2O5)

Structural Information

Molecular Formula

SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN

InChI

InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3

InChIKey

HTIQEAQVCYTUBX-UHFFFAOYSA-N

Compound name

3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-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]+	409.15248	195.5
[M+Na]+	431.13442	201.9
[M-H]-	407.13792	199.0
[M+NH4]+	426.17902	204.9
[M+K]+	447.10836	197.3
[M+H-H2O]+	391.14246	187.3
[M+HCOO]-	453.14340	208.9
[M+CH3COO]-	467.15905	224.1
[M+Na-2H]-	429.11987	192.5
[M]+	408.14465	200.9
[M]-	408.14575	200.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

409.15248

195.5

[M+Na]+

431.13442

201.9

[M-H]-

407.13792

199.0

[M+NH4]+

426.17902

204.9

[M+K]+

447.10836

197.3

[M+H-H2O]+

391.14246

187.3

[M+HCOO]-

453.14340

208.9

[M+CH3COO]-

467.15905

224.1

[M+Na-2H]-

429.11987

192.5

[M]+

408.14465

200.9

[M]-

408.14575

200.9

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

Amlodipine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe