CID 62970

Dehydrofelodipine

Structural Information

Molecular Formula

C₁₈H₁₇Cl₂NO₄

SMILES

CCOC(=O)C1=C(C(=C(N=C1C)C)C(=O)OC)C2=C(C(=CC=C2)Cl)Cl

InChI

InChI=1S/C18H17Cl2NO4/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/h6-8H,5H2,1-4H3

InChIKey

REQRUBNOOIAHMG-UHFFFAOYSA-N

Compound name

3-O-ethyl 5-O-methyl 4-(2,3-dichlorophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 11
References: 21
Patents: 381.05347 Da
Monoisotopic Mass: 4.6
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]+	382.060746	179.9
[M+Na]+	404.042688	191.2
[M-H]-	380.046194	185.9
[M+NH4]+	399.087293	192.9
[M+K]+	420.016628	186.0
[M+H-H2O]+	364.050730	173.3
[M+HCOO]-	426.051671	191.4
[M+CH3COO]-	440.067321	218.5
[M+Na-2H]-	402.028136	178.7
[M]+	381.05292142	189.8
[M]-	381.05401858	189.8

Literature stripe

literature stripe

Patent stripe

patents stripe