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

1384
References

43019
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

literature stripe

Patent stripe

patents stripe