CID 46657

Win 5786

Structural Information

Molecular Formula
C22H27NO2
SMILES
CC(C1=CC=C(C=C1)C2=CC=CC=C2)C(=O)OCCC3CCCCN3
InChI
InChI=1S/C22H27NO2/c1-17(22(24)25-16-14-21-9-5-6-15-23-21)18-10-12-20(13-11-18)19-7-3-2-4-8-19/h2-4,7-8,10-13,17,21,23H,5-6,9,14-16H2,1H3
InChIKey
QDWYZUCHSFEDPR-UHFFFAOYSA-N
Compound name
2-piperidin-2-ylethyl 2-(4-phenylphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.2042 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.21148 185.3
[M+Na]+ 360.19342 197.8
[M+NH4]+ 355.23802 192.8
[M+K]+ 376.16736 189.6
[M-H]- 336.19692 190.5
[M+Na-2H]- 358.17887 193.4
[M]+ 337.20365 188.5
[M]- 337.20475 188.5
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.