CID 14353449

8-demethyllatifolin

Structural Information

Molecular Formula

C₁₈H₁₆O₆

SMILES

CC1=C(C=C2C(=C1O)C(=O)C(=C(O2)C3=CC=C(C=C3)O)OC)OC

InChI

InChI=1S/C18H16O6/c1-9-12(22-2)8-13-14(15(9)20)16(21)18(23-3)17(24-13)10-4-6-11(19)7-5-10/h4-8,19-20H,1-3H3

InChIKey

DTOUWUNQCABKEZ-UHFFFAOYSA-N

Compound name

5-hydroxy-2-(4-hydroxyphenyl)-3,7-dimethoxy-6-methylchromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 328.0947 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]+	329.101976	172.6
[M+Na]+	351.083918	183.9
[M-H]-	327.087424	180.1
[M+NH4]+	346.128523	185.8
[M+K]+	367.057858	181.7
[M+H-H2O]+	311.091960	164.8
[M+HCOO]-	373.092901	192.5
[M+CH3COO]-	387.108551	208.0
[M+Na-2H]-	349.069366	176.8
[M]+	328.09415142	179.6
[M]-	328.09524858	179.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.