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 169.8
[M+Na]+ 330.18282 171.7
[M-H]- 306.18632 170.3
[M+NH4]+ 325.22742 186.7
[M+K]+ 346.15676 166.4
[M+H-H2O]+ 290.19086 159.9
[M+HCOO]- 352.19180 179.5
[M+CH3COO]- 366.20745 177.5
[M+Na-2H]- 328.16827 178.6
[M]+ 307.19305 169.6
[M]- 307.19415 169.6
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.