CID 16798

2291-55-6

Structural Information

Molecular Formula
C23H27NO2
SMILES
CN1C2CCCC1CC(C2)OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H27NO2/c1-24-19-13-8-14-20(24)16-21(15-19)26-23(25)22(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-7,9-12,19-22H,8,13-16H2,1H3
InChIKey
HDVCAVADDPJAAK-UHFFFAOYSA-N
Compound name
(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl) 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.2042 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.21148 185.6
[M+Na]+ 372.19342 187.2
[M-H]- 348.19692 190.9
[M+NH4]+ 367.23802 197.3
[M+K]+ 388.16736 182.2
[M+H-H2O]+ 332.20146 174.8
[M+HCOO]- 394.20240 197.5
[M+CH3COO]- 408.21805 192.9
[M+Na-2H]- 370.17887 186.4
[M]+ 349.20365 180.2
[M]- 349.20475 180.2
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.