CID 723252

9-phenyl-2h,3h-[1,4]dioxino[2,3-g]quinolin-7-ol

Structural Information

Molecular Formula

C₁₇H₁₃NO₃

SMILES

C1COC2=C(O1)C=C3C(=CC(=O)NC3=C2)C4=CC=CC=C4

InChI

InChI=1S/C17H13NO3/c19-17-9-12(11-4-2-1-3-5-11)13-8-15-16(10-14(13)18-17)21-7-6-20-15/h1-5,8-10H,6-7H2,(H,18,19)

InChIKey

NQXLDZVBZLPYHK-UHFFFAOYSA-N

Compound name

9-phenyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 0
Patents: 279.08954 Da
Monoisotopic Mass: 2.2
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]+	280.096816	160.7
[M+Na]+	302.078758	169.5
[M-H]-	278.082264	167.8
[M+NH4]+	297.123363	173.6
[M+K]+	318.052698	166.1
[M+H-H2O]+	262.086800	151.5
[M+HCOO]-	324.087741	176.6
[M+CH3COO]-	338.103391	172.1
[M+Na-2H]-	300.064206	169.7
[M]+	279.08899142	159.9
[M]-	279.09008858	159.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.