CID 3045750

(+-)-1-phenyl-3-(1-phenyl-6-azabicyclo(3.2.1)oct-6-yl)-1-propanone hydrochloride

Structural Information

Molecular Formula
C22H25NO
SMILES
C1CC2CC(C1)(CN2CCC(=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H25NO/c24-21(18-8-3-1-4-9-18)13-15-23-17-22(14-7-12-20(23)16-22)19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2
InChIKey
LEHAMQKXZRHFHQ-UHFFFAOYSA-N
Compound name
1-phenyl-3-(1-phenyl-6-azabicyclo[3.2.1]octan-6-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

319.1936 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.20088 180.1
[M+Na]+ 342.18282 183.9
[M-H]- 318.18632 186.3
[M+NH4]+ 337.22742 197.2
[M+K]+ 358.15676 177.9
[M+H-H2O]+ 302.19086 170.2
[M+HCOO]- 364.19180 195.7
[M+CH3COO]- 378.20745 189.1
[M+Na-2H]- 340.16827 181.9
[M]+ 319.19305 176.0
[M]- 319.19415 176.0
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.