CID 50666

6-diphenylacetoxy-1-azabicyclo(3.2.1)octane hydrochloride

Structural Information

Molecular Formula
C21H23NO2
SMILES
C1CC2CN(C1)CC2OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H23NO2/c23-21(24-19-15-22-13-7-12-18(19)14-22)20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18-20H,7,12-15H2
InChIKey
VMEOPLKXVJCJPM-UHFFFAOYSA-N
Compound name
1-azabicyclo[3.2.1]octan-6-yl 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.17288 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.18016 177.4
[M+Na]+ 344.16210 180.0
[M-H]- 320.16560 183.5
[M+NH4]+ 339.20670 192.2
[M+K]+ 360.13604 175.4
[M+H-H2O]+ 304.17014 167.9
[M+HCOO]- 366.17108 192.5
[M+CH3COO]- 380.18673 186.2
[M+Na-2H]- 342.14755 178.0
[M]+ 321.17233 173.4
[M]- 321.17343 173.4
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.