CID 5281803

Pratensein

Structural Information

Molecular Formula

C₁₆H₁₂O₆

SMILES

COC1=C(C=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O)O

InChI

InChI=1S/C16H12O6/c1-21-13-3-2-8(4-11(13)18)10-7-22-14-6-9(17)5-12(19)15(14)16(10)20/h2-7,17-19H,1H3

InChIKey

FPIOBTBNRZPWJW-UHFFFAOYSA-N

Compound name

5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)chromen-4-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 26
References: 1387
Patents: 300.0634 Da
Monoisotopic Mass: 2.6
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]+	301.07068	164.6
[M+Na]+	323.05262	180.3
[M+NH4]+	318.09722	171.3
[M+K]+	339.02656	174.9
[M-H]-	299.05612	168.9
[M+Na-2H]-	321.03807	170.7
[M]+	300.06285	168.1
[M]-	300.06395	168.1

Literature stripe

literature stripe

Patent stripe

patents stripe