CID 5321880

Ugaxanthone

Structural Information

Molecular Formula

C₁₈H₁₆O₆

SMILES

CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C3=C(O2)C(=C(C=C3)O)O)C

InChI

InChI=1S/C18H16O6/c1-8(2)3-4-9-12(20)7-13(21)14-15(22)10-5-6-11(19)16(23)18(10)24-17(9)14/h3,5-7,19-21,23H,4H2,1-2H3

InChIKey

ZZUFNBISWJNCEE-UHFFFAOYSA-N

Compound name

1,3,5,6-tetrahydroxy-4-(3-methylbut-2-enyl)xanthen-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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]+	329.10198	172.7
[M+Na]+	351.08392	184.0
[M-H]-	327.08742	175.4
[M+NH4]+	346.12852	185.8
[M+K]+	367.05786	180.1
[M+H-H2O]+	311.09196	166.3
[M+HCOO]-	373.09290	188.4
[M+CH3COO]-	387.10855	205.1
[M+Na-2H]-	349.06937	176.5
[M]+	328.09415	177.5
[M]-	328.09525	177.5

Literature stripe

literature stripe

Patent stripe

patents stripe