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]+ 380.22203 189.2
[M+Na]+ 402.20397 188.8
[M-H]- 378.20747 188.9
[M+NH4]+ 397.24857 202.6
[M+K]+ 418.17791 184.9
[M+H-H2O]+ 362.21201 179.0
[M+HCOO]- 424.21295 196.1
[M+CH3COO]- 438.22860 194.9
[M+Na-2H]- 400.18942 194.6
[M]+ 379.21420 190.7
[M]- 379.21530 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.