CID 5481234

Licoisoflavone b

Structural Information

Molecular Formula

C₂₀H₁₆O₆

SMILES

CC1(C=CC2=C(O1)C=CC(=C2O)C3=COC4=CC(=CC(=C4C3=O)O)O)C

InChI

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

InChIKey

KIZPADOTOCPASX-UHFFFAOYSA-N

Compound name

5,7-dihydroxy-3-(5-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 21
Patents: 352.0947 Da
Monoisotopic Mass: 3.6
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	180.8
[M+Na]+	375.083918	192.4
[M-H]-	351.087424	188.5
[M+NH4]+	370.128523	193.7
[M+K]+	391.057858	190.1
[M+H-H2O]+	335.091960	172.7
[M+HCOO]-	397.092901	195.6
[M+CH3COO]-	411.108551	192.2
[M+Na-2H]-	373.069366	187.2
[M]+	352.09415142	185.1
[M]-	352.09524858	185.1

Literature stripe

literature stripe

Patent stripe

patents stripe