CID 285815

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

Structural Information

Molecular Formula
C19H22ClNO4
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=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)13-7-9-14(20)10-8-13/h7-10,17,21H,5-6H2,1-4H3
InChIKey
TXVRICWGWBIUAG-UHFFFAOYSA-N
Compound name
diethyl 4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

20
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 182.8
[M+Na]+ 386.11297 190.9
[M-H]- 362.11647 187.1
[M+NH4]+ 381.15757 194.8
[M+K]+ 402.08691 185.9
[M+H-H2O]+ 346.12101 175.4
[M+HCOO]- 408.12195 196.0
[M+CH3COO]- 422.13760 214.2
[M+Na-2H]- 384.09842 180.8
[M]+ 363.12320 188.1
[M]- 363.12430 188.1
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

patents stripe