CID 24208943

4-{3-[(4-fluorobenzyl)oxy]phenyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarbonitrile

Structural Information

Molecular Formula
C22H18FN3O
SMILES
CC1=C(C(C(=C(N1)C)C#N)C2=CC(=CC=C2)OCC3=CC=C(C=C3)F)C#N
InChI
InChI=1S/C22H18FN3O/c1-14-20(11-24)22(21(12-25)15(2)26-14)17-4-3-5-19(10-17)27-13-16-6-8-18(23)9-7-16/h3-10,22,26H,13H2,1-2H3
InChIKey
JHWZDHXRTVLNCD-UHFFFAOYSA-N
Compound name
4-[3-[(4-fluorophenyl)methoxy]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.1434 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.15068 188.1
[M+Na]+ 382.13262 198.5
[M-H]- 358.13612 190.7
[M+NH4]+ 377.17722 194.7
[M+K]+ 398.10656 189.6
[M+H-H2O]+ 342.14066 169.9
[M+HCOO]- 404.14160 196.4
[M+CH3COO]- 418.15725 192.7
[M+Na-2H]- 380.11807 185.8
[M]+ 359.14285 178.4
[M]- 359.14395 178.4
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.