CID 24208914

4-(4-(4-fluorophenyl)-2-thienyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarbonitrile

Structural Information

Molecular Formula
C19H14FN3S
SMILES
CC1=C(C(C(=C(N1)C)C#N)C2=CC(=CS2)C3=CC=C(C=C3)F)C#N
InChI
InChI=1S/C19H14FN3S/c1-11-16(8-21)19(17(9-22)12(2)23-11)18-7-14(10-24-18)13-3-5-15(20)6-4-13/h3-7,10,19,23H,1-2H3
InChIKey
LCCAEVYFQAAKQS-UHFFFAOYSA-N
Compound name
4-[4-(4-fluorophenyl)thiophen-2-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.08923 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.09651 188.2
[M+Na]+ 358.07845 200.3
[M-H]- 334.08195 192.5
[M+NH4]+ 353.12305 197.7
[M+K]+ 374.05239 191.9
[M+H-H2O]+ 318.08649 171.2
[M+HCOO]- 380.08743 194.3
[M+CH3COO]- 394.10308 193.7
[M+Na-2H]- 356.06390 183.5
[M]+ 335.08868 179.6
[M]- 335.08978 179.6
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.