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
2
Annotation Hits

11
References

21
Patents

381.05347 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.06075 179.9
[M+Na]+ 404.04269 191.2
[M-H]- 380.04619 185.9
[M+NH4]+ 399.08729 192.9
[M+K]+ 420.01663 186.0
[M+H-H2O]+ 364.05073 173.3
[M+HCOO]- 426.05167 191.4
[M+CH3COO]- 440.06732 218.5
[M+Na-2H]- 402.02814 178.7
[M]+ 381.05292 189.8
[M]- 381.05402 189.8
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.