CID 202292

3-(p-methoxyphenyl)-2-phenylpropionic acid 1-azabicyclo(3.2.2)non-4-yl ester

Structural Information

Molecular Formula
C24H29NO3
SMILES
COC1=CC=C(C=C1)CC(C2=CC=CC=C2)C(=O)OC3CCN4CCC3CC4
InChI
InChI=1S/C24H29NO3/c1-27-21-9-7-18(8-10-21)17-22(19-5-3-2-4-6-19)24(26)28-23-13-16-25-14-11-20(23)12-15-25/h2-10,20,22-23H,11-17H2,1H3
InChIKey
VIXGTXFTNHFKGC-UHFFFAOYSA-N
Compound name
1-azabicyclo[3.2.2]nonan-4-yl 3-(4-methoxyphenyl)-2-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.21475 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.22203 177.8
[M+Na]+ 402.20397 183.7
[M+NH4]+ 397.24857 183.9
[M+K]+ 418.17791 180.1
[M-H]- 378.20747 177.9
[M+Na-2H]- 400.18942 178.2
[M]+ 379.21420 178.6
[M]- 379.21530 178.6
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.