CID 113806

Ro 2-3202/2

Structural Information

Molecular Formula
C21H23NO2
SMILES
C1CN2CCC1C(C2)OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H23NO2/c23-21(24-19-15-22-13-11-16(19)12-14-22)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19-20H,11-15H2
InChIKey
SMIIKXYLRQKKBI-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-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 172.0
[M+Na]+ 344.16210 184.8
[M+NH4]+ 339.20670 182.6
[M+K]+ 360.13604 175.9
[M-H]- 320.16560 174.5
[M+Na-2H]- 342.14755 174.9
[M]+ 321.17233 174.6
[M]- 321.17343 174.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe