CID 54677985

3-ethyl-4-hydroxy-1-phenylquinolin-2(1h)-one

Structural Information

Molecular Formula

C₁₇H₁₅NO₂

SMILES

CCC1=C(C2=CC=CC=C2N(C1=O)C3=CC=CC=C3)O

InChI

InChI=1S/C17H15NO2/c1-2-13-16(19)14-10-6-7-11-15(14)18(17(13)20)12-8-4-3-5-9-12/h3-11,19H,2H2,1H3

InChIKey

BOYBQTHRVVVBKL-UHFFFAOYSA-N

Compound name

3-ethyl-4-hydroxy-1-phenylquinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 265.1103 Da
Monoisotopic Mass: 3.2
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]+	266.117576	159.8
[M+Na]+	288.099518	169.9
[M-H]-	264.103024	165.5
[M+NH4]+	283.144123	175.7
[M+K]+	304.073458	164.2
[M+H-H2O]+	248.107560	151.5
[M+HCOO]-	310.108501	180.6
[M+CH3COO]-	324.124151	172.1
[M+Na-2H]-	286.084966	166.0
[M]+	265.10975142	160.9
[M]-	265.11084858	160.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.