CID 20784

3-benzoyl-4-hydroxy-1-methyl-4-phenylpiperidine

Structural Information

Molecular Formula
C19H21NO2
SMILES
CN1CCC(C(C1)C(=O)C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C19H21NO2/c1-20-13-12-19(22,16-10-6-3-7-11-16)17(14-20)18(21)15-8-4-2-5-9-15/h2-11,17,22H,12-14H2,1H3
InChIKey
TVRFABREAYQAQA-UHFFFAOYSA-N
Compound name
(4-hydroxy-1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

12
Patents

295.15723 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.16451 171.4
[M+Na]+ 318.14645 176.3
[M-H]- 294.14995 177.6
[M+NH4]+ 313.19105 185.7
[M+K]+ 334.12039 171.5
[M+H-H2O]+ 278.15449 162.0
[M+HCOO]- 340.15543 187.8
[M+CH3COO]- 354.17108 181.1
[M+Na-2H]- 316.13190 174.1
[M]+ 295.15668 166.4
[M]- 295.15778 166.4
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

patents stripe