CID 4160764

4-(4-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile

Structural Information

Molecular Formula
C15H12FN3
SMILES
CC1=C(C(C(=C(N1)C)C#N)C2=CC=C(C=C2)F)C#N
InChI
InChI=1S/C15H12FN3/c1-9-13(7-17)15(14(8-18)10(2)19-9)11-3-5-12(16)6-4-11/h3-6,15,19H,1-2H3
InChIKey
WYWVNWSVMJRXEB-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.10153 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.108806 163.8
[M+Na]+ 276.090748 174.5
[M-H]- 252.094254 165.8
[M+NH4]+ 271.135353 173.8
[M+K]+ 292.064688 168.2
[M+H-H2O]+ 236.098790 147.2
[M+HCOO]- 298.099731 173.1
[M+CH3COO]- 312.115381 223.7
[M+Na-2H]- 274.076196 163.6
[M]+ 253.10098142 153.5
[M]- 253.10207858 153.5
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.