CID 215508

35806-05-4

Structural Information

Molecular Formula
C23H26FNO
SMILES
CC1=C(CN(C(C1)C2=CC=CC=C2)CCCC(=O)C3=CC=C(C=C3)F)C
InChI
InChI=1S/C23H26FNO/c1-17-15-22(19-7-4-3-5-8-19)25(16-18(17)2)14-6-9-23(26)20-10-12-21(24)13-11-20/h3-5,7-8,10-13,22H,6,9,14-16H2,1-2H3
InChIKey
LKIHHRSYSGPTRT-UHFFFAOYSA-N
Compound name
4-(4,5-dimethyl-2-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-fluorophenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.19983 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.20711 187.3
[M+Na]+ 374.18905 192.9
[M-H]- 350.19255 193.4
[M+NH4]+ 369.23365 198.6
[M+K]+ 390.16299 186.4
[M+H-H2O]+ 334.19709 176.0
[M+HCOO]- 396.19803 203.9
[M+CH3COO]- 410.21368 217.4
[M+Na-2H]- 372.17450 186.1
[M]+ 351.19928 184.9
[M]- 351.20038 184.9
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.