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 184.0
[M+Na]+ 360.19342 185.2
[M-H]- 336.19692 188.8
[M+NH4]+ 355.23802 194.0
[M+K]+ 376.16736 179.9
[M+H-H2O]+ 320.20146 173.6
[M+HCOO]- 382.20240 198.3
[M+CH3COO]- 396.21805 208.5
[M+Na-2H]- 358.17887 183.6
[M]+ 337.20365 178.5
[M]- 337.20475 178.5
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.