CID 3060695

1-phenethyl-4-piperidyl benzoate hydrochloride

Structural Information

Molecular Formula
C20H23NO2
SMILES
C1CN(CCC1OC(=O)C2=CC=CC=C2)CCC3=CC=CC=C3
InChI
InChI=1S/C20H23NO2/c22-20(18-9-5-2-6-10-18)23-19-12-15-21(16-13-19)14-11-17-7-3-1-4-8-17/h1-10,19H,11-16H2
InChIKey
VBFZQBXELATHDG-UHFFFAOYSA-N
Compound name
[1-(2-phenylethyl)piperidin-4-yl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

309.17288 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.18016 175.2
[M+Na]+ 332.16210 178.1
[M-H]- 308.16560 181.8
[M+NH4]+ 327.20670 187.2
[M+K]+ 348.13604 173.6
[M+H-H2O]+ 292.17014 164.7
[M+HCOO]- 354.17108 192.7
[M+CH3COO]- 368.18673 204.1
[M+Na-2H]- 330.14755 177.5
[M]+ 309.17233 171.4
[M]- 309.17343 171.4
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.