CID 52664

2-methyl-azabicyclononanol diphenylacetate hydrochloride

Structural Information

Molecular Formula
C23H27NO2
SMILES
CC1(CCC2CCCN1C2)OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H27NO2/c1-23(15-14-18-9-8-16-24(23)17-18)26-22(25)21(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-7,10-13,18,21H,8-9,14-17H2,1H3
InChIKey
RVSNSXGOJDMUSC-UHFFFAOYSA-N
Compound name
(2-methyl-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

349.2042 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.21148 187.2
[M+Na]+ 372.19342 189.0
[M-H]- 348.19692 192.6
[M+NH4]+ 367.23802 200.8
[M+K]+ 388.16736 184.3
[M+H-H2O]+ 332.20146 176.2
[M+HCOO]- 394.20240 199.1
[M+CH3COO]- 408.21805 194.6
[M+Na-2H]- 370.17887 189.5
[M]+ 349.20365 181.8
[M]- 349.20475 181.8
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.