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]+ 310.18016 175.8
[M+Na]+ 332.16210 180.3
[M-H]- 308.16560 181.8
[M+NH4]+ 327.20670 189.5
[M+K]+ 348.13604 175.3
[M+H-H2O]+ 292.17014 166.2
[M+HCOO]- 354.17108 191.9
[M+CH3COO]- 368.18673 203.0
[M+Na-2H]- 330.14755 178.0
[M]+ 309.17233 171.1
[M]- 309.17343 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.