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]+ 366.20638 184.6
[M+Na]+ 388.18832 184.7
[M-H]- 364.19182 184.6
[M+NH4]+ 383.23292 198.7
[M+K]+ 404.16226 181.0
[M+H-H2O]+ 348.19636 174.6
[M+HCOO]- 410.19730 191.9
[M+CH3COO]- 424.21295 190.8
[M+Na-2H]- 386.17377 190.5
[M]+ 365.19855 185.9
[M]- 365.19965 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.