CID 10713651

5,7,3'-trihydroxy-6,4',5'-trimethoxyflavanone

Structural Information

Molecular Formula

C₁₈H₁₈O₈

SMILES

COC1=CC(=CC(=C1OC)O)C2CC(=O)C3=C(O2)C=C(C(=C3O)OC)O

InChI

InChI=1S/C18H18O8/c1-23-14-5-8(4-10(20)17(14)24-2)12-6-9(19)15-13(26-12)7-11(21)18(25-3)16(15)22/h4-5,7,12,20-22H,6H2,1-3H3

InChIKey

HMTSHCGCQPCGLA-UHFFFAOYSA-N

Compound name

5,7-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 362.10016 Da
Monoisotopic Mass: 2.3
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]+	363.107436	179.4
[M+Na]+	385.089378	188.5
[M-H]-	361.092884	185.0
[M+NH4]+	380.133983	190.3
[M+K]+	401.063318	187.6
[M+H-H2O]+	345.097420	171.6
[M+HCOO]-	407.098361	195.1
[M+CH3COO]-	421.114011	212.9
[M+Na-2H]-	383.074826	181.2
[M]+	362.09961142	185.2
[M]-	362.10070858	185.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.