CID 44258358

Artonin u

Structural Information

Molecular Formula

C₂₁H₂₀O₅

SMILES

CC(=CCC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=C(C=C3)O)O)OC)C

InChI

InChI=1S/C21H20O5/c1-12(2)4-9-15-19(25-3)11-17(24)20-16(23)10-18(26-21(15)20)13-5-7-14(22)8-6-13/h4-8,10-11,22,24H,9H2,1-3H3

InChIKey

BSZYNZDGUZYMDL-UHFFFAOYSA-N

Compound name

5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-(3-methylbut-2-enyl)chromen-4-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 352.13107 Da
Monoisotopic Mass: 4.9
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]+	353.138346	182.6
[M+Na]+	375.120288	191.9
[M-H]-	351.123794	189.2
[M+NH4]+	370.164893	194.5
[M+K]+	391.094228	188.2
[M+H-H2O]+	335.128330	174.5
[M+HCOO]-	397.129271	200.5
[M+CH3COO]-	411.144921	212.8
[M+Na-2H]-	373.105736	184.5
[M]+	352.13052142	187.2
[M]-	352.13161858	187.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.