CID 5281697

Scutellarein

Structural Information

Molecular Formula

C₁₅H₁₀O₆

SMILES

C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)O)O)O

InChI

InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H

InChIKey

JVXZRQGOGOXCEC-UHFFFAOYSA-N

Compound name

5,6,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 195
References: 2668
Patents: 286.04773 Da
Monoisotopic Mass: 1.4
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]+	287.05501	160.6
[M+Na]+	309.03695	175.9
[M+NH4]+	304.08155	167.1
[M+K]+	325.01089	171.1
[M-H]-	285.04045	164.4
[M+Na-2H]-	307.02240	166.4
[M]+	286.04718	163.8
[M]-	286.04828	163.8

Literature stripe

literature stripe

Patent stripe

patents stripe