CID 215510

35806-06-5

Structural Information

Molecular Formula
C22H24FNO
SMILES
CC1=CCN(C(C1)C2=CC=CC=C2)CCCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C22H24FNO/c1-17-13-15-24(21(16-17)18-6-3-2-4-7-18)14-5-8-22(25)19-9-11-20(23)12-10-19/h2-4,6-7,9-13,21H,5,8,14-16H2,1H3
InChIKey
JVSSMGTTWKDJFY-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-(4-methyl-2-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.1842 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.19148 182.9
[M+Na]+ 360.17342 188.0
[M-H]- 336.17692 188.8
[M+NH4]+ 355.21802 194.5
[M+K]+ 376.14736 181.7
[M+H-H2O]+ 320.18146 171.5
[M+HCOO]- 382.18240 199.9
[M+CH3COO]- 396.19805 213.2
[M+Na-2H]- 358.15887 183.0
[M]+ 337.18365 179.7
[M]- 337.18475 179.7
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.