CID 3045752

(+-)-1-(4-fluorophenyl)-4-(1-phenyl-6-azabicyclo(3.2.1)oct-6-yl)-1-butanone hydrobromide

Structural Information

Molecular Formula
C23H26FNO
SMILES
C1CC2CC(C1)(CN2CCCC(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4
InChI
InChI=1S/C23H26FNO/c24-20-12-10-18(11-13-20)22(26)9-5-15-25-17-23(14-4-8-21(25)16-23)19-6-2-1-3-7-19/h1-3,6-7,10-13,21H,4-5,8-9,14-17H2
InChIKey
UWWYOMKUHZCSGM-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-(1-phenyl-6-azabicyclo[3.2.1]octan-6-yl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.19983 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.20711 187.9
[M+Na]+ 374.18905 192.2
[M-H]- 350.19255 192.8
[M+NH4]+ 369.23365 203.9
[M+K]+ 390.16299 185.5
[M+H-H2O]+ 334.19709 177.0
[M+HCOO]- 396.19803 202.0
[M+CH3COO]- 410.21368 196.2
[M+Na-2H]- 372.17450 187.8
[M]+ 351.19928 183.5
[M]- 351.20038 183.5
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.