CID 45051453

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

Structural Information

Molecular Formula
C17H17ClFNO4
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC)C2=C(C=C(C=C2)F)Cl)C(=O)OC
InChI
InChI=1S/C17H17ClFNO4/c1-8-13(16(21)23-3)15(11-6-5-10(19)7-12(11)18)14(9(2)20-8)17(22)24-4/h5-7,15,20H,1-4H3
InChIKey
CYXSGKKVGAULFJ-UHFFFAOYSA-N
Compound name
dimethyl 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

353.083 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.09028 179.4
[M+Na]+ 376.07222 192.4
[M+NH4]+ 371.11682 184.6
[M+K]+ 392.04616 186.7
[M-H]- 352.07572 179.7
[M+Na-2H]- 374.05767 183.5
[M]+ 353.08245 181.4
[M]- 353.08355 181.4
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.