CID 215179

Rc 61-94 hydrochloride

Structural Information

Molecular Formula
C23H31NO2
SMILES
CCCC(C(C1=CC=C(C=C1)O)O)N2CCC(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C23H31NO2/c1-2-6-22(23(26)20-9-11-21(25)12-10-20)24-15-13-19(14-16-24)17-18-7-4-3-5-8-18/h3-5,7-12,19,22-23,25-26H,2,6,13-17H2,1H3
InChIKey
QCZWEUWSYTUCRT-UHFFFAOYSA-N
Compound name
4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypentyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.23547 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.242746 189.1
[M+Na]+ 376.224688 190.1
[M-H]- 352.228194 192.8
[M+NH4]+ 371.269293 198.2
[M+K]+ 392.198628 184.4
[M+H-H2O]+ 336.232730 179.1
[M+HCOO]- 398.233671 201.4
[M+CH3COO]- 412.249321 211.6
[M+Na-2H]- 374.210136 187.2
[M]+ 353.23492142 183.4
[M]- 353.23601858 183.4
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.