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]+ 352.207106 187.9
[M+Na]+ 374.189048 192.2
[M-H]- 350.192554 192.8
[M+NH4]+ 369.233653 203.9
[M+K]+ 390.162988 185.5
[M+H-H2O]+ 334.197090 177.0
[M+HCOO]- 396.198031 202.0
[M+CH3COO]- 410.213681 196.2
[M+Na-2H]- 372.174496 187.8
[M]+ 351.19928142 183.5
[M]- 351.20037858 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.