CID 15127377

1,4,5-trihydroxy-3-prenylxanthone

Structural Information

Molecular Formula

C₁₈H₁₆O₅

SMILES

CC(=CCC1=CC(=C2C(=C1O)OC3=C(C2=O)C=CC=C3O)O)C

InChI

InChI=1S/C18H16O5/c1-9(2)6-7-10-8-13(20)14-16(22)11-4-3-5-12(19)17(11)23-18(14)15(10)21/h3-6,8,19-21H,7H2,1-2H3

InChIKey

BRVVGOBMRRGKCK-UHFFFAOYSA-N

Compound name

1,4,5-trihydroxy-3-(3-methylbut-2-enyl)xanthen-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 312.09976 Da
Monoisotopic Mass: 4.4
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]+	313.107036	169.3
[M+Na]+	335.088978	180.5
[M-H]-	311.092484	173.0
[M+NH4]+	330.133583	183.6
[M+K]+	351.062918	176.3
[M+H-H2O]+	295.097020	162.7
[M+HCOO]-	357.097961	186.4
[M+CH3COO]-	371.113611	203.3
[M+Na-2H]-	333.074426	174.1
[M]+	312.09921142	174.0
[M]-	312.10030858	174.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.