CID 262390

1603-46-9

Structural Information

Molecular Formula

C₁₇H₁₆O₅

SMILES

COC1(C(C(=O)C2=CC=CC=C2O1)(O)OC)C3=CC=CC=C3

InChI

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

InChIKey

LSDQPHGAMNDNCK-UHFFFAOYSA-N

Compound name

3-hydroxy-2,3-dimethoxy-2-phenylchromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 300.09976 Da
Monoisotopic Mass: 1.9
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	166.1
[M+Na]+	323.088978	175.2
[M-H]-	299.092484	173.7
[M+NH4]+	318.133583	184.2
[M+K]+	339.062918	173.7
[M+H-H2O]+	283.097020	158.7
[M+HCOO]-	345.097961	185.1
[M+CH3COO]-	359.113611	199.5
[M+Na-2H]-	321.074426	174.5
[M]+	300.09921142	169.5
[M]-	300.10030858	169.5

Literature stripe

literature stripe

Patent stripe

patents stripe