CID 5381920

7-hydroxy-2-(3,4,5-trimethoxyphenyl)-4h-chromen-4-one

Structural Information

Molecular Formula

C₁₈H₁₆O₆

SMILES

COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(O2)C=C(C=C3)O

InChI

InChI=1S/C18H16O6/c1-21-16-6-10(7-17(22-2)18(16)23-3)14-9-13(20)12-5-4-11(19)8-15(12)24-14/h4-9,19H,1-3H3

InChIKey

MDEDRFPEUVNRFK-UHFFFAOYSA-N

Compound name

7-hydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 13
Patents: 328.0947 Da
Monoisotopic Mass: 3.5
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]+	329.101976	172.1
[M+Na]+	351.083918	183.0
[M-H]-	327.087424	180.6
[M+NH4]+	346.128523	185.7
[M+K]+	367.057858	181.5
[M+H-H2O]+	311.091960	163.8
[M+HCOO]-	373.092901	193.6
[M+CH3COO]-	387.108551	208.8
[M+Na-2H]-	349.069366	177.4
[M]+	328.09415142	180.4
[M]-	328.09524858	180.4

Literature stripe

literature stripe

Patent stripe

patents stripe