CID 199193

2,2-diphenylpropionic acid 3-quinuclidinyl ester hydrochloride

Structural Information

Molecular Formula
C22H25NO2
SMILES
CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OC3CN4CCC3CC4
InChI
InChI=1S/C22H25NO2/c1-22(18-8-4-2-5-9-18,19-10-6-3-7-11-19)21(24)25-20-16-23-14-12-17(20)13-15-23/h2-11,17,20H,12-16H2,1H3
InChIKey
WOPPGGGGQFNBFL-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl 2,2-diphenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

51
Patents

335.18854 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.19582 178.6
[M+Na]+ 358.17776 179.3
[M-H]- 334.18126 178.8
[M+NH4]+ 353.22236 194.0
[M+K]+ 374.15170 175.1
[M+H-H2O]+ 318.18580 169.3
[M+HCOO]- 380.18674 185.6
[M+CH3COO]- 394.20239 185.4
[M+Na-2H]- 356.16321 187.5
[M]+ 335.18799 178.1
[M]- 335.18909 178.1
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