CID 3060671

1-piperidinepropanol, 4-phenyl-, benzoate, hydrochloride

Structural Information

Molecular Formula
C21H25NO2
SMILES
C1CN(CCC1C2=CC=CC=C2)CCCOC(=O)C3=CC=CC=C3
InChI
InChI=1S/C21H25NO2/c23-21(20-10-5-2-6-11-20)24-17-7-14-22-15-12-19(13-16-22)18-8-3-1-4-9-18/h1-6,8-11,19H,7,12-17H2
InChIKey
DEIQUMQAVNBBJZ-UHFFFAOYSA-N
Compound name
3-(4-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]+ 324.19582 181.0
[M+Na]+ 346.17776 194.6
[M+NH4]+ 341.22236 189.1
[M+K]+ 362.15170 185.5
[M-H]- 322.18126 186.9
[M+Na-2H]- 344.16321 190.3
[M]+ 323.18799 184.6
[M]- 323.18909 184.6
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.