CID 60528

2-(4-benzyloxybenzyl)quinuclidine hydrochloride

Structural Information

Molecular Formula
C21H25NO
SMILES
C1CN2CCC1CC2CC3=CC=C(C=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C21H25NO/c1-2-4-19(5-3-1)16-23-21-8-6-17(7-9-21)14-20-15-18-10-12-22(20)13-11-18/h1-9,18,20H,10-16H2
InChIKey
SQMCJQNDEWEACK-UHFFFAOYSA-N
Compound name
2-[(4-phenylmethoxyphenyl)methyl]-1-azabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1936 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.20088 171.1
[M+Na]+ 330.18282 185.4
[M+NH4]+ 325.22742 182.8
[M+K]+ 346.15676 174.7
[M-H]- 306.18632 174.8
[M+Na-2H]- 328.16827 174.8
[M]+ 307.19305 174.4
[M]- 307.19415 174.4
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.