CID 3060669

1-piperidinepropanol, 3-phenyl-, benzoate, hydrochloride

Structural Information

Molecular Formula
C21H25NO2
SMILES
C1CC(CN(C1)CCCOC(=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H25NO2/c23-21(19-11-5-2-6-12-19)24-16-8-15-22-14-7-13-20(17-22)18-9-3-1-4-10-18/h1-6,9-12,20H,7-8,13-17H2
InChIKey
FVWDTFPTZGAUAE-UHFFFAOYSA-N
Compound name
3-(3-phenylpiperidin-1-yl)propyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.18854 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.195816 179.7
[M+Na]+ 346.177758 182.1
[M-H]- 322.181264 186.0
[M+NH4]+ 341.222363 191.1
[M+K]+ 362.151698 177.3
[M+H-H2O]+ 306.185800 168.9
[M+HCOO]- 368.186741 196.8
[M+CH3COO]- 382.202391 207.1
[M+Na-2H]- 344.163206 181.4
[M]+ 323.18799142 176.2
[M]- 323.18908858 176.2
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.