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

45960
Patents

383.06912 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.07640 181.6
[M+Na]+ 406.05834 191.4
[M-H]- 382.06184 185.9
[M+NH4]+ 401.10294 193.7
[M+K]+ 422.03228 185.6
[M+H-H2O]+ 366.06638 175.6
[M+HCOO]- 428.06732 190.3
[M+CH3COO]- 442.08297 216.6
[M+Na-2H]- 404.04379 179.1
[M]+ 383.06857 188.3
[M]- 383.06967 188.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.