CID 985433

Diethyl 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Structural Information

Molecular Formula
C19H22ClNO4
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)Cl)C(=O)OCC)C)C
InChI
InChI=1S/C19H22ClNO4/c1-5-24-18(22)15-11(3)21-12(4)16(19(23)25-6-2)17(15)13-8-7-9-14(20)10-13/h7-10,17,21H,5-6H2,1-4H3
InChIKey
CKVDBTXSHZUJOU-UHFFFAOYSA-N
Compound name
diethyl 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

19
Patents

363.12375 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.13103 184.4
[M+Na]+ 386.11297 197.8
[M+NH4]+ 381.15757 190.1
[M+K]+ 402.08691 191.4
[M-H]- 362.11647 186.2
[M+Na-2H]- 384.09842 189.1
[M]+ 363.12320 187.0
[M]- 363.12430 187.0
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.