CID 45051452

Diethyl 4-(2-chloro-4-fluorophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate

Structural Information

Molecular Formula
C19H21ClFNO4
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=C(C=C(C=C2)F)Cl)C(=O)OCC)C)C
InChI
InChI=1S/C19H21ClFNO4/c1-5-25-18(23)15-10(3)22-11(4)16(19(24)26-6-2)17(15)13-8-7-12(21)9-14(13)20/h7-9,17,22H,5-6H2,1-4H3
InChIKey
DSBFTZNPUHAXEA-UHFFFAOYSA-N
Compound name
diethyl 4-(2-chloro-4-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.11432 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.12160 185.0
[M+Na]+ 404.10354 194.1
[M-H]- 380.10704 188.2
[M+NH4]+ 399.14814 196.5
[M+K]+ 420.07748 188.6
[M+H-H2O]+ 364.11158 176.9
[M+HCOO]- 426.11252 197.1
[M+CH3COO]- 440.12817 218.1
[M+Na-2H]- 402.08899 181.7
[M]+ 381.11377 189.7
[M]- 381.11487 189.7
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.