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]+ 322.180156 177.4
[M+Na]+ 344.162098 180.0
[M-H]- 320.165604 183.5
[M+NH4]+ 339.206703 192.2
[M+K]+ 360.136038 175.4
[M+H-H2O]+ 304.170140 167.9
[M+HCOO]- 366.171081 192.5
[M+CH3COO]- 380.186731 186.2
[M+Na-2H]- 342.147546 178.0
[M]+ 321.17233142 173.4
[M]- 321.17342858 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.