CID 5358904

Lichexanthone

Structural Information

Molecular Formula

C₁₆H₁₄O₅

SMILES

CC1=CC(=CC2=C1C(=O)C3=C(C=C(C=C3O2)OC)O)OC

InChI

InChI=1S/C16H14O5/c1-8-4-9(19-2)6-12-14(8)16(18)15-11(17)5-10(20-3)7-13(15)21-12/h4-7,17H,1-3H3

InChIKey

QDLAGTHXVHQKRE-UHFFFAOYSA-N

Compound name

1-hydroxy-3,6-dimethoxy-8-methylxanthen-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 58198
Patents: 286.08414 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]+	287.091416	159.9
[M+Na]+	309.073358	172.9
[M-H]-	285.076864	166.7
[M+NH4]+	304.117963	176.9
[M+K]+	325.047298	170.8
[M+H-H2O]+	269.081400	152.9
[M+HCOO]-	331.082341	181.7
[M+CH3COO]-	345.097991	202.1
[M+Na-2H]-	307.058806	167.9
[M]+	286.08359142	168.9
[M]-	286.08468858	168.9

Literature stripe

literature stripe

Patent stripe

patents stripe