CID 4231835

2',5'-dimethoxyflavone

Structural Information

Molecular Formula

C₁₇H₁₄O₄

SMILES

COC1=CC(=C(C=C1)OC)C2=CC(=O)C3=CC=CC=C3O2

InChI

InChI=1S/C17H14O4/c1-19-11-7-8-15(20-2)13(9-11)17-10-14(18)12-5-3-4-6-16(12)21-17/h3-10H,1-2H3

InChIKey

YVAMPWXEJCQAJJ-UHFFFAOYSA-N

Compound name

2-(2,5-dimethoxyphenyl)chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 282.0892 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]+	283.09648	160.9
[M+Na]+	305.07842	178.3
[M+NH4]+	300.12302	169.7
[M+K]+	321.05236	170.3
[M-H]-	281.08192	167.5
[M+Na-2H]-	303.06387	170.1
[M]+	282.08865	165.6
[M]-	282.08975	165.6

Literature stripe

literature stripe

Patent stripe

patents stripe