CID 60521

2-(4-benzyloxybenzyl)-3-oxoquinuclidine

Structural Information

Molecular Formula
C21H23NO2
SMILES
C1CN2CCC1C(=O)C2CC3=CC=C(C=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C21H23NO2/c23-21-18-10-12-22(13-11-18)20(21)14-16-6-8-19(9-7-16)24-15-17-4-2-1-3-5-17/h1-9,18,20H,10-15H2
InChIKey
SODNHZYMOYNEKW-UHFFFAOYSA-N
Compound name
2-[(4-phenylmethoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.17288 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.18016 172.9
[M+Na]+ 344.16210 187.2
[M+NH4]+ 339.20670 183.8
[M+K]+ 360.13604 177.0
[M-H]- 320.16560 176.0
[M+Na-2H]- 342.14755 175.9
[M]+ 321.17233 176.0
[M]- 321.17343 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

literature stripe

Patent stripe

No patent data available for this compound.