CID 11536537

4-hydroxymedicarpin

Structural Information

Molecular Formula

C₁₆H₁₄O₅

SMILES

COC1=CC2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4O)O

InChI

InChI=1S/C16H14O5/c1-19-8-2-3-9-11-7-20-16-10(4-5-12(17)14(16)18)15(11)21-13(9)6-8/h2-6,11,15,17-18H,7H2,1H3

InChIKey

YRFDJOAWSXSLMG-UHFFFAOYSA-N

Compound name

9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,4-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 286.08414 Da
Monoisotopic Mass: 2.3
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]+	287.09142	161.0
[M+Na]+	309.07336	174.8
[M+NH4]+	304.11796	169.8
[M+K]+	325.04730	171.0
[M-H]-	285.07686	166.0
[M+Na-2H]-	307.05881	163.0
[M]+	286.08359	164.4
[M]-	286.08469	164.4

Literature stripe

literature stripe

Patent stripe

patents stripe