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]+ 254.10881 163.8
[M+Na]+ 276.09075 174.5
[M-H]- 252.09425 165.8
[M+NH4]+ 271.13535 173.8
[M+K]+ 292.06469 168.2
[M+H-H2O]+ 236.09879 147.2
[M+HCOO]- 298.09973 173.1
[M+CH3COO]- 312.11538 223.7
[M+Na-2H]- 274.07620 163.6
[M]+ 253.10098 153.5
[M]- 253.10208 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.