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 175.8
[M-H]- 320.16560 173.7
[M+NH4]+ 339.20670 189.4
[M+K]+ 360.13604 170.7
[M+H-H2O]+ 304.17014 163.1
[M+HCOO]- 366.17108 182.8
[M+CH3COO]- 380.18673 180.8
[M+Na-2H]- 342.14755 181.2
[M]+ 321.17233 173.8
[M]- 321.17343 173.8
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.