CID 3060665

1-piperidinepropanol, 4-phenethyl-, benzoate, hydrochloride

Structural Information

Molecular Formula
C23H29NO2
SMILES
C1CN(CCC1CCC2=CC=CC=C2)CCCOC(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H29NO2/c25-23(22-10-5-2-6-11-22)26-19-7-16-24-17-14-21(15-18-24)13-12-20-8-3-1-4-9-20/h1-6,8-11,21H,7,12-19H2
InChIKey
CCJODJGPRRUYHN-UHFFFAOYSA-N
Compound name
3-[4-(2-phenylethyl)piperidin-1-yl]propyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.21982 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.22710 189.9
[M+Na]+ 374.20904 203.2
[M+NH4]+ 369.25364 197.7
[M+K]+ 390.18298 193.6
[M-H]- 350.21254 195.8
[M+Na-2H]- 372.19449 198.7
[M]+ 351.21927 193.5
[M]- 351.22037 193.5
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.