CID 14780156

5-hydroxy-7-methoxy-3',4'-methylenedioxyflavone

Structural Information

Molecular Formula

C₁₇H₁₂O₆

SMILES

COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C17H12O6/c1-20-10-5-11(18)17-12(19)7-14(23-16(17)6-10)9-2-3-13-15(4-9)22-8-21-13/h2-7,18H,8H2,1H3

InChIKey

IOIKXLOQSXQCSI-UHFFFAOYSA-N

Compound name

2-(1,3-benzodioxol-5-yl)-5-hydroxy-7-methoxychromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 312.0634 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]+	313.070676	165.9
[M+Na]+	335.052618	177.0
[M-H]-	311.056124	176.5
[M+NH4]+	330.097223	180.0
[M+K]+	351.026558	176.9
[M+H-H2O]+	295.060660	159.6
[M+HCOO]-	357.061601	184.9
[M+CH3COO]-	371.077251	179.3
[M+Na-2H]-	333.038066	172.8
[M]+	312.06285142	172.9
[M]-	312.06394858	172.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.