CID 14492422

Morusignin b

Structural Information

Molecular Formula

C₁₈H₁₆O₆

SMILES

CC(=CCC1=C(C2=C(C=C1O)OC3=C(C=CC(=C3C2=O)O)O)O)C

InChI

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

InChIKey

AQSBDDHXYVQYHC-UHFFFAOYSA-N

Compound name

1,3,5,8-tetrahydroxy-2-(3-methylbut-2-enyl)xanthen-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
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	172.7
[M+Na]+	351.083918	184.0
[M-H]-	327.087424	175.4
[M+NH4]+	346.128523	185.8
[M+K]+	367.057858	180.1
[M+H-H2O]+	311.091960	166.3
[M+HCOO]-	373.092901	188.4
[M+CH3COO]-	387.108551	205.1
[M+Na-2H]-	349.069366	176.5
[M]+	328.09415142	177.5
[M]-	328.09524858	177.5

Literature stripe

literature stripe

Patent stripe

patents stripe