CID 201705

3-(3-(4-methyl-1-phenethyl-3-propylpiperidinyl))phenol, hydrochloride

Structural Information

Molecular Formula
C23H31NO
SMILES
CCCC1(CN(CCC1C)CCC2=CC=CC=C2)C3=CC(=CC=C3)O
InChI
InChI=1S/C23H31NO/c1-3-14-23(21-10-7-11-22(25)17-21)18-24(15-12-19(23)2)16-13-20-8-5-4-6-9-20/h4-11,17,19,25H,3,12-16,18H2,1-2H3
InChIKey
OSIJGFYJZHTXFC-UHFFFAOYSA-N
Compound name
3-[4-methyl-1-(2-phenylethyl)-3-propylpiperidin-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.24057 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.24785 186.5
[M+Na]+ 360.22979 190.7
[M-H]- 336.23329 192.2
[M+NH4]+ 355.27439 199.6
[M+K]+ 376.20373 184.5
[M+H-H2O]+ 320.23783 176.4
[M+HCOO]- 382.23877 202.2
[M+CH3COO]- 396.25442 210.8
[M+Na-2H]- 358.21524 187.4
[M]+ 337.24002 183.1
[M]- 337.24112 183.1
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.