CID 12116708

2,5-dihydroxy-7-methoxy-8-methylflavanone

Structural Information

Molecular Formula

C₁₇H₁₆O₅

SMILES

CC1=C(C=C(C2=C1OC(CC2=O)(C3=CC=CC=C3)O)O)OC

InChI

InChI=1S/C17H16O5/c1-10-14(21-2)8-12(18)15-13(19)9-17(20,22-16(10)15)11-6-4-3-5-7-11/h3-8,18,20H,9H2,1-2H3

InChIKey

GTJNJTZVMPKMRD-UHFFFAOYSA-N

Compound name

2,5-dihydroxy-7-methoxy-8-methyl-2-phenyl-3H-chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 300.09976 Da
Monoisotopic Mass: 2.7
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]+	301.107036	166.4
[M+Na]+	323.088978	175.8
[M-H]-	299.092484	172.9
[M+NH4]+	318.133583	182.2
[M+K]+	339.062918	173.3
[M+H-H2O]+	283.097020	159.4
[M+HCOO]-	345.097961	183.8
[M+CH3COO]-	359.113611	200.1
[M+Na-2H]-	321.074426	171.8
[M]+	300.09921142	168.4
[M]-	300.10030858	168.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.