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

1287
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 189.7
[M+Na]+ 434.05325 204.4
[M+NH4]+ 429.09785 195.1
[M+K]+ 450.02719 197.8
[M-H]- 410.05675 191.3
[M+Na-2H]- 432.03870 194.1
[M]+ 411.06348 192.8
[M]- 411.06458 192.8
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.