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]+ 354.24275 189.1
[M+Na]+ 376.22469 190.1
[M-H]- 352.22819 192.8
[M+NH4]+ 371.26929 198.2
[M+K]+ 392.19863 184.4
[M+H-H2O]+ 336.23273 179.1
[M+HCOO]- 398.23367 201.4
[M+CH3COO]- 412.24932 211.6
[M+Na-2H]- 374.21014 187.2
[M]+ 353.23492 183.4
[M]- 353.23602 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.