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 194.5
[M+Na]+ 402.20397 199.7
[M-H]- 378.20747 198.9
[M+NH4]+ 397.24857 208.1
[M+K]+ 418.17791 196.6
[M+H-H2O]+ 362.21201 192.8
[M+HCOO]- 424.21295 202.8
[M+CH3COO]- 438.22860 201.0
[M+Na-2H]- 400.18942 199.6
[M]+ 379.21420 194.2
[M]- 379.21530 194.2
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.