CID 3019021

Einecs 279-834-4

Structural Information

Molecular Formula

C₂₂H₂₇NO₂

SMILES

CC(C)(C)N1CCC(C(C1)C(=O)C2=CC=CC=C2)(C3=CC=CC=C3)O

InChI

InChI=1S/C22H27NO2/c1-21(2,3)23-15-14-22(25,18-12-8-5-9-13-18)19(16-23)20(24)17-10-6-4-7-11-17/h4-13,19,25H,14-16H2,1-3H3

InChIKey

KXNGXWRDUHMYHK-UHFFFAOYSA-N

Compound name

(1-tert-butyl-4-hydroxy-4-phenylpiperidin-3-yl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 337.2042 Da
Monoisotopic Mass: 3.9
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]+	338.211476	184.1
[M+Na]+	360.193418	188.2
[M-H]-	336.196924	190.1
[M+NH4]+	355.238023	196.9
[M+K]+	376.167358	183.4
[M+H-H2O]+	320.201460	174.9
[M+HCOO]-	382.202401	197.9
[M+CH3COO]-	396.218051	208.7
[M+Na-2H]-	358.178866	186.3
[M]+	337.20365142	179.6
[M]-	337.20474858	179.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.