CID 129629041

Felodipin al

Structural Information

Molecular Formula
C19H19Cl2NO5
SMILES
CCOC(=O)C1=C(N(C(=C(C1C2=C(C(=CC=C2)Cl)Cl)C(=O)OC)C)C=O)C
InChI
InChI=1S/C19H19Cl2NO5/c1-5-27-19(25)15-11(3)22(9-23)10(2)14(18(24)26-4)16(15)12-7-6-8-13(20)17(12)21/h6-9,16H,5H2,1-4H3
InChIKey
NYCQZGQJPIAFQH-UHFFFAOYSA-N
Compound name
5-O-ethyl 3-O-methyl 4-(2,3-dichlorophenyl)-1-formyl-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1289
References

0
Patents

411.06403 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.07131 186.1
[M+Na]+ 434.05325 196.8
[M-H]- 410.05675 191.9
[M+NH4]+ 429.09785 197.8
[M+K]+ 450.02719 191.9
[M+H-H2O]+ 394.06129 179.6
[M+HCOO]- 456.06223 196.2
[M+CH3COO]- 470.07788 224.5
[M+Na-2H]- 432.03870 183.1
[M]+ 411.06348 196.1
[M]- 411.06458 196.1
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

No patent data available for this compound.