CID 202295

3-(p-methoxyphenyl)-2-phenylpropionic acid 3-quinuclidinyl ester hydrochloride

Structural Information

Molecular Formula
C23H27NO3
SMILES
COC1=CC=C(C=C1)CC(C2=CC=CC=C2)C(=O)OC3CN4CCC3CC4
InChI
InChI=1S/C23H27NO3/c1-26-20-9-7-17(8-10-20)15-21(18-5-3-2-4-6-18)23(25)27-22-16-24-13-11-19(22)12-14-24/h2-10,19,21-22H,11-16H2,1H3
InChIKey
OZTFJIBZMFGICQ-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl 3-(4-methoxyphenyl)-2-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.1991 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.206376 184.6
[M+Na]+ 388.188318 184.7
[M-H]- 364.191824 184.6
[M+NH4]+ 383.232923 198.7
[M+K]+ 404.162258 181.0
[M+H-H2O]+ 348.196360 174.6
[M+HCOO]- 410.197301 191.9
[M+CH3COO]- 424.212951 190.8
[M+Na-2H]- 386.173766 190.5
[M]+ 365.19855142 185.9
[M]- 365.19964858 185.9
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.