CID 160596

Fonsecin b

Structural Information

Molecular Formula

C₁₆H₁₆O₆

SMILES

CC1(CC(=O)C2=C(C3=C(C=C(C=C3C=C2O1)OC)OC)O)O

InChI

InChI=1S/C16H16O6/c1-16(19)7-10(17)14-12(22-16)5-8-4-9(20-2)6-11(21-3)13(8)15(14)18/h4-6,18-19H,7H2,1-3H3

InChIKey

ZYTKFYQKQVYVMW-UHFFFAOYSA-N

Compound name

2,5-dihydroxy-6,8-dimethoxy-2-methyl-3H-benzo[g]chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 304.0947 Da
Monoisotopic Mass: 2.4
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]+	305.101976	164.7
[M+Na]+	327.083918	175.1
[M-H]-	303.087424	169.1
[M+NH4]+	322.128523	181.8
[M+K]+	343.057858	173.5
[M+H-H2O]+	287.091960	158.5
[M+HCOO]-	349.092901	180.7
[M+CH3COO]-	363.108551	202.7
[M+Na-2H]-	325.069366	171.1
[M]+	304.09415142	169.6
[M]-	304.09524858	169.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.