CID 20784

5409-66-5

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	296.16451	171.9
[M+Na]+	318.14645	185.9
[M+NH4]+	313.19105	181.5
[M+K]+	334.12039	176.1
[M-H]-	294.14995	177.5
[M+Na-2H]-	316.13190	182.4
[M]+	295.15668	175.7
[M]-	295.15778	175.7

Literature stripe

literature stripe

Patent stripe

patents stripe