CID 14484690

5,6,2'-trimethoxyflavone

Structural Information

Molecular Formula

C₁₈H₁₆O₅

SMILES

COC1=C(C2=C(C=C1)OC(=CC2=O)C3=CC=CC=C3OC)OC

InChI

InChI=1S/C18H16O5/c1-20-13-7-5-4-6-11(13)16-10-12(19)17-14(23-16)8-9-15(21-2)18(17)22-3/h4-10H,1-3H3

InChIKey

IQWXFMQSQNSHKI-UHFFFAOYSA-N

Compound name

5,6-dimethoxy-2-(2-methoxyphenyl)chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 312.09976 Da
Monoisotopic Mass: 3.1
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]+	313.10704	168.6
[M+Na]+	335.08898	185.7
[M+NH4]+	330.13358	176.7
[M+K]+	351.06292	178.2
[M-H]-	311.09248	174.8
[M+Na-2H]-	333.07443	176.8
[M]+	312.09921	173.1
[M]-	312.10031	173.1

Literature stripe

literature stripe

Patent stripe

patents stripe