CID 202293

3-(p-methoxyphenyl)-2-phenylpropionic acid 3-quinuclidinylmethyl ester

Structural Information

Molecular Formula
C24H29NO3
SMILES
COC1=CC=C(C=C1)CC(C2=CC=CC=C2)C(=O)OCC3CN4CCC3CC4
InChI
InChI=1S/C24H29NO3/c1-27-22-9-7-18(8-10-22)15-23(20-5-3-2-4-6-20)24(26)28-17-21-16-25-13-11-19(21)12-14-25/h2-10,19,21,23H,11-17H2,1H3
InChIKey
RYRXZJTWQQQHOP-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-ylmethyl 3-(4-methoxyphenyl)-2-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.21475 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.222026 189.2
[M+Na]+ 402.203968 188.8
[M-H]- 378.207474 188.9
[M+NH4]+ 397.248573 202.6
[M+K]+ 418.177908 184.9
[M+H-H2O]+ 362.212010 179.0
[M+HCOO]- 424.212951 196.1
[M+CH3COO]- 438.228601 194.9
[M+Na-2H]- 400.189416 194.6
[M]+ 379.21420142 190.7
[M]- 379.21529858 190.7
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.