CID 3043590

Brn 0554192

Structural Information

Molecular Formula

C₁₆H₁₈N₂O₃

SMILES

C1CCN(C(=O)C1)CC(C2=NOC(=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C16H18N2O3/c19-14(11-18-9-5-4-8-16(18)20)13-10-15(21-17-13)12-6-2-1-3-7-12/h1-3,6-7,10,14,19H,4-5,8-9,11H2

InChIKey

FVLSYMRRYHBBIC-UHFFFAOYSA-N

Compound name

1-[2-hydroxy-2-(5-phenyl-1,2-oxazol-3-yl)ethyl]piperidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 286.13174 Da
Monoisotopic Mass: 1.1
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]+	287.139016	165.8
[M+Na]+	309.120958	170.9
[M-H]-	285.124464	171.6
[M+NH4]+	304.165563	177.7
[M+K]+	325.094898	168.0
[M+H-H2O]+	269.129000	156.4
[M+HCOO]-	331.129941	182.0
[M+CH3COO]-	345.145591	175.9
[M+Na-2H]-	307.106406	167.0
[M]+	286.13119142	162.9
[M]-	286.13228858	162.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.