CID 215181

Rc 61-95 hydrochloride

Structural Information

Molecular Formula
C22H29NO2
SMILES
CCC(C(C1=CC=C(C=C1)O)O)N2CCC(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C22H29NO2/c1-2-21(22(25)19-8-10-20(24)11-9-19)23-14-12-18(13-15-23)16-17-6-4-3-5-7-17/h3-11,18,21-22,24-25H,2,12-16H2,1H3
InChIKey
FPAVJVKMXWGLPJ-UHFFFAOYSA-N
Compound name
4-[2-(4-benzylpiperidin-1-yl)-1-hydroxybutyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.21982 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.22710 184.7
[M+Na]+ 362.20904 186.1
[M-H]- 338.21254 188.6
[M+NH4]+ 357.25364 194.4
[M+K]+ 378.18298 180.7
[M+H-H2O]+ 322.21708 174.9
[M+HCOO]- 384.21802 197.4
[M+CH3COO]- 398.23367 208.7
[M+Na-2H]- 360.19449 183.3
[M]+ 339.21927 178.7
[M]- 339.22037 178.7
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.