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
2
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]+ 338.211476 184.0
[M+Na]+ 360.193418 185.2
[M-H]- 336.196924 188.8
[M+NH4]+ 355.238023 194.0
[M+K]+ 376.167358 179.9
[M+H-H2O]+ 320.201460 173.6
[M+HCOO]- 382.202401 198.3
[M+CH3COO]- 396.218051 208.5
[M+Na-2H]- 358.178866 183.6
[M]+ 337.20365142 178.5
[M]- 337.20474858 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.