CID 45050930

662-164-5

Structural Information

Molecular Formula
C23H24FNO4S
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC(=CS2)C3=CC=C(C=C3)F)C(=O)OCC)C)C
InChI
InChI=1S/C23H24FNO4S/c1-5-28-22(26)19-13(3)25-14(4)20(23(27)29-6-2)21(19)18-11-16(12-30-18)15-7-9-17(24)10-8-15/h7-12,21,25H,5-6H2,1-4H3
InChIKey
ZKERBCHQBFCHNR-UHFFFAOYSA-N
Compound name
diethyl 4-[4-(4-fluorophenyl)thiophen-2-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.14102 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.14830 201.9
[M+Na]+ 452.13024 209.3
[M-H]- 428.13374 208.4
[M+NH4]+ 447.17484 212.4
[M+K]+ 468.10418 203.6
[M+H-H2O]+ 412.13828 192.8
[M+HCOO]- 474.13922 214.2
[M+CH3COO]- 488.15487 225.5
[M+Na-2H]- 450.11569 194.7
[M]+ 429.14047 206.3
[M]- 429.14157 206.3
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.