CID 215508

1-butanone, 4-(3,6-dihydro-4,5-dimethyl-2-phenyl-1(2h)-pyridinyl)-1-(4-fluorophenyl)-, hydrochloride

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]+ 352.207106 187.3
[M+Na]+ 374.189048 192.9
[M-H]- 350.192554 193.4
[M+NH4]+ 369.233653 198.6
[M+K]+ 390.162988 186.4
[M+H-H2O]+ 334.197090 176.0
[M+HCOO]- 396.198031 203.9
[M+CH3COO]- 410.213681 217.4
[M+Na-2H]- 372.174496 186.1
[M]+ 351.19928142 184.9
[M]- 351.20037858 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.