CID 44625

Quinuclidinol methyl bromide diphenyl acetate

Structural Information

Molecular Formula
C22H26NO2
SMILES
C1C[N+]2(CCC1CC2)COC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H26NO2/c24-22(25-17-23-14-11-18(12-15-23)13-16-23)21(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,18,21H,11-17H2/q+1
InChIKey
IMEIOGCBZDDUQZ-UHFFFAOYSA-N
Compound name
1-azoniabicyclo[2.2.2]octan-1-ylmethyl 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.19635 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.20363 175.9
[M+Na]+ 359.18557 190.2
[M+NH4]+ 354.23017 189.0
[M+K]+ 375.15951 179.6
[M-H]- 335.18907 180.1
[M+Na-2H]- 357.17102 181.1
[M]+ 336.19580 179.7
[M]- 336.19690 179.7
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.