CID 120625

3v5lbg63pd

Structural Information

Molecular Formula
C22H27NO2
SMILES
CCC(=O)OC1(CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H27NO2/c1-2-21(24)25-22(20-11-7-4-8-12-20)14-17-23(18-15-22)16-13-19-9-5-3-6-10-19/h3-12H,2,13-18H2,1H3
InChIKey
HPFQTBYEZDGKSZ-UHFFFAOYSA-N
Compound name
[4-phenyl-1-(2-phenylethyl)piperidin-4-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

337.2042 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.21148 185.0
[M+Na]+ 360.19342 188.1
[M-H]- 336.19692 191.6
[M+NH4]+ 355.23802 197.9
[M+K]+ 376.16736 183.4
[M+H-H2O]+ 320.20146 174.3
[M+HCOO]- 382.20240 201.8
[M+CH3COO]- 396.21805 209.5
[M+Na-2H]- 358.17887 187.1
[M]+ 337.20365 182.2
[M]- 337.20475 182.2
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.