CID 44258539

Agecorynin g

Structural Information

Molecular Formula

C₂₁H₂₂O₉

SMILES

COC1=C(C(=C(C(=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)OC)O)OC

InChI

InChI=1S/C21H22O9/c1-24-14-7-10(18(26-3)17(23)19(14)27-4)12-8-11(22)16-13(30-12)9-15(25-2)20(28-5)21(16)29-6/h7-9,23H,1-6H3

InChIKey

LYGDVJBJNCXPRS-UHFFFAOYSA-N

Compound name

2-(3-hydroxy-2,4,5-trimethoxyphenyl)-5,6,7-trimethoxychromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 418.12637 Da
Monoisotopic Mass: 2.7
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]+	419.133646	193.5
[M+Na]+	441.115588	204.4
[M-H]-	417.119094	202.3
[M+NH4]+	436.160193	203.6
[M+K]+	457.089528	205.3
[M+H-H2O]+	401.123630	184.1
[M+HCOO]-	463.124571	214.0
[M+CH3COO]-	477.140221	228.8
[M+Na-2H]-	439.101036	195.7
[M]+	418.12582142	208.2
[M]-	418.12691858	208.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.