CID 3333

Felodipine

Structural Information

Molecular Formula

C₁₈H₁₉Cl₂NO₄

SMILES

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

InChI

InChI=1S/C18H19Cl2NO4/c1-5-25-18(23)14-10(3)21-9(2)13(17(22)24-4)15(14)11-7-6-8-12(19)16(11)20/h6-8,15,21H,5H2,1-4H3

InChIKey

RZTAMFZIAATZDJ-UHFFFAOYSA-N

Compound name

5-O-ethyl 3-O-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 1385
References: 46205
Patents: 383.06912 Da
Monoisotopic Mass: 3.9
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]+	384.076396	181.6
[M+Na]+	406.058338	191.4
[M-H]-	382.061844	185.9
[M+NH4]+	401.102943	193.7
[M+K]+	422.032278	185.6
[M+H-H2O]+	366.066380	175.6
[M+HCOO]-	428.067321	190.3
[M+CH3COO]-	442.082971	216.6
[M+Na-2H]-	404.043786	179.1
[M]+	383.06857142	188.3
[M]-	383.06966858	188.3

Literature stripe

literature stripe

Patent stripe

patents stripe