CID 5487268

Fremontin

Structural Information

Molecular Formula

C₂₀H₁₈O₆

SMILES

CC(C)(C=C)C1=C(C=C(C(=C1)C2=COC3=CC(=CC(=C3C2=O)O)O)O)O

InChI

InChI=1S/C20H18O6/c1-4-20(2,3)13-7-11(14(22)8-15(13)23)12-9-26-17-6-10(21)5-16(24)18(17)19(12)25/h4-9,21-24H,1H2,2-3H3

InChIKey

XWUWFNSZQDCXCD-UHFFFAOYSA-N

Compound name

3-[2,4-dihydroxy-5-(2-methylbut-3-en-2-yl)phenyl]-5,7-dihydroxychromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 9
Patents: 354.11035 Da
Monoisotopic Mass: 4.3
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]+	355.117626	181.7
[M+Na]+	377.099568	191.7
[M-H]-	353.103074	186.4
[M+NH4]+	372.144173	192.3
[M+K]+	393.073508	187.7
[M+H-H2O]+	337.107610	174.8
[M+HCOO]-	399.108551	196.4
[M+CH3COO]-	413.124201	209.7
[M+Na-2H]-	375.085016	185.1
[M]+	354.10980142	184.6
[M]-	354.11089858	184.6

Literature stripe

literature stripe

Patent stripe

patents stripe