CID 44260111

Methylsainfuran

Structural Information

Molecular Formula

C₁₇H₁₆O₅

SMILES

COC1=CC(=C(C=C1)C2=CC3=CC(=C(C=C3O2)OC)O)OC

InChI

InChI=1S/C17H16O5/c1-19-11-4-5-12(15(8-11)20-2)16-7-10-6-13(18)17(21-3)9-14(10)22-16/h4-9,18H,1-3H3

InChIKey

XHPVKSBYQJUMTF-UHFFFAOYSA-N

Compound name

2-(2,4-dimethoxyphenyl)-6-methoxy-1-benzofuran-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 300.09976 Da
Monoisotopic Mass: 3.5
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	165.3
[M+Na]+	323.088978	176.6
[M-H]-	299.092484	174.1
[M+NH4]+	318.133583	182.1
[M+K]+	339.062918	174.8
[M+H-H2O]+	283.097020	158.7
[M+HCOO]-	345.097961	189.2
[M+CH3COO]-	359.113611	202.2
[M+Na-2H]-	321.074426	170.2
[M]+	300.09921142	174.4
[M]-	300.10030858	174.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.