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 178.8
[M+Na]+ 359.18557 178.6
[M-H]- 335.18907 178.8
[M+NH4]+ 354.23017 195.4
[M+K]+ 375.15951 168.6
[M+H-H2O]+ 319.19361 170.7
[M+HCOO]- 381.19455 185.8
[M+CH3COO]- 395.21020 184.9
[M+Na-2H]- 357.17102 188.8
[M]+ 336.19580 176.2
[M]- 336.19690 176.2
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.