CID 52662

Azabicyclononanol diphenylacetate hydrochloride

Structural Information

Molecular Formula
C22H25NO2
SMILES
C1CC2CCC(N(C1)C2)OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H25NO2/c24-22(25-20-14-13-17-8-7-15-23(20)16-17)21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,17,20-21H,7-8,13-16H2
InChIKey
FBCYDBBJYIWVEE-UHFFFAOYSA-N
Compound name
1-azabicyclo[3.3.1]nonan-2-yl 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.18854 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.19582 180.6
[M+Na]+ 358.17776 181.7
[M-H]- 334.18126 185.8
[M+NH4]+ 353.22236 192.7
[M+K]+ 374.15170 177.0
[M+H-H2O]+ 318.18580 169.9
[M+HCOO]- 380.18674 192.9
[M+CH3COO]- 394.20239 188.1
[M+Na-2H]- 356.16321 182.7
[M]+ 335.18799 174.5
[M]- 335.18909 174.5
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.