CID 5495918

Cudraxanthone s

Structural Information

Molecular Formula

C₁₈H₁₆O₆

SMILES

CC(C)(C=C)C1=C(C2=C(C=C1O)OC3=C(C2=O)C=CC(=C3O)O)O

InChI

InChI=1S/C18H16O6/c1-4-18(2,3)13-10(20)7-11-12(16(13)23)14(21)8-5-6-9(19)15(22)17(8)24-11/h4-7,19-20,22-23H,1H2,2-3H3

InChIKey

AIUQKYDJHSRTBI-UHFFFAOYSA-N

Compound name

1,3,5,6-tetrahydroxy-2-(2-methylbut-3-en-2-yl)xanthen-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 328.0947 Da
Monoisotopic Mass: 4.0
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	173.3
[M+Na]+	351.083918	185.1
[M-H]-	327.087424	176.2
[M+NH4]+	346.128523	186.5
[M+K]+	367.057858	181.3
[M+H-H2O]+	311.091960	167.4
[M+HCOO]-	373.092901	188.3
[M+CH3COO]-	387.108551	205.3
[M+Na-2H]-	349.069366	179.3
[M]+	328.09415142	178.3
[M]-	328.09524858	178.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.