CID 5319889

Moracin f

Structural Information

Molecular Formula

C₁₆H₁₄O₅

SMILES

COC1=C(C=C2C(=C1)C=C(O2)C3=CC(=CC(=C3)O)O)OC

InChI

InChI=1S/C16H14O5/c1-19-15-6-10-5-13(21-14(10)8-16(15)20-2)9-3-11(17)7-12(18)4-9/h3-8,17-18H,1-2H3

InChIKey

MQRQKQBOYQLFAI-UHFFFAOYSA-N

Compound name

5-(5,6-dimethoxy-1-benzofuran-2-yl)benzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 286.08414 Da
Monoisotopic Mass: 3.2
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	161.8
[M+Na]+	309.07336	177.0
[M+NH4]+	304.11796	169.5
[M+K]+	325.04730	172.9
[M-H]-	285.07686	166.5
[M+Na-2H]-	307.05881	168.3
[M]+	286.08359	165.4
[M]-	286.08469	165.4

Literature stripe

literature stripe

Patent stripe

patents stripe