CID 10315987

Cyclocommunol

Structural Information

Molecular Formula

C₂₀H₁₆O₆

SMILES

CC(=CC1C2=C(C3=C(O1)C=C(C=C3)O)OC4=CC(=CC(=C4C2=O)O)O)C

InChI

InChI=1S/C20H16O6/c1-9(2)5-15-18-19(24)17-13(23)6-11(22)8-16(17)26-20(18)12-4-3-10(21)7-14(12)25-15/h3-8,15,21-23H,1-2H3

InChIKey

VHNPAPHWKVLGHG-UHFFFAOYSA-N

Compound name

3,8,10-trihydroxy-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 5
References: 204
Patents: 352.0947 Da
Monoisotopic Mass: 3.9
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]+	353.101976	179.6
[M+Na]+	375.083918	189.8
[M-H]-	351.087424	184.4
[M+NH4]+	370.128523	191.6
[M+K]+	391.057858	187.1
[M+H-H2O]+	335.091960	172.2
[M+HCOO]-	397.092901	191.8
[M+CH3COO]-	411.108551	190.0
[M+Na-2H]-	373.069366	184.4
[M]+	352.09415142	183.3
[M]-	352.09524858	183.3

Literature stripe

literature stripe

Patent stripe

patents stripe