CID 201710

3-(3-(3-methyl-1-phenacylpiperidinyl))phenol, hydrochloride

Structural Information

Molecular Formula
C20H23NO2
SMILES
CC1(CCCN(C1)CC(=O)C2=CC=CC=C2)C3=CC(=CC=C3)O
InChI
InChI=1S/C20H23NO2/c1-20(17-9-5-10-18(22)13-17)11-6-12-21(15-20)14-19(23)16-7-3-2-4-8-16/h2-5,7-10,13,22H,6,11-12,14-15H2,1H3
InChIKey
KLKFFYLPIVCVCU-UHFFFAOYSA-N
Compound name
2-[3-(3-hydroxyphenyl)-3-methylpiperidin-1-yl]-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.17288 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.180156 175.8
[M+Na]+ 332.162098 180.3
[M-H]- 308.165604 181.8
[M+NH4]+ 327.206703 189.5
[M+K]+ 348.136038 175.3
[M+H-H2O]+ 292.170140 166.2
[M+HCOO]- 354.171081 191.9
[M+CH3COO]- 368.186731 203.0
[M+Na-2H]- 330.147546 178.0
[M]+ 309.17233142 171.1
[M]- 309.17342858 171.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.