CID 44258562

5-methoxy-7,8-methylenedioxyflavone

Structural Information

Molecular Formula

C₁₇H₁₂O₅

SMILES

COC1=C2C(=O)C=C(OC2=C3C(=C1)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C17H12O5/c1-19-13-8-14-16(21-9-20-14)17-15(13)11(18)7-12(22-17)10-5-3-2-4-6-10/h2-8H,9H2,1H3

InChIKey

PNCQFWFHJIFGDK-UHFFFAOYSA-N

Compound name

5-methoxy-8-phenyl-[1,3]dioxolo[4,5-h]chromen-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 296.06848 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]+	297.075756	162.5
[M+Na]+	319.057698	173.5
[M-H]-	295.061204	174.1
[M+NH4]+	314.102303	177.8
[M+K]+	335.031638	173.4
[M+H-H2O]+	279.065740	156.0
[M+HCOO]-	341.066681	182.9
[M+CH3COO]-	355.082331	176.4
[M+Na-2H]-	317.043146	170.2
[M]+	296.06793142	169.3
[M]-	296.06902858	169.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.