CID 42608055

Heteroflavanone a

Structural Information

Molecular Formula

C₁₉H₂₀O₇

SMILES

COC1=CC(=C2C(=O)CC(OC2=C1)C3=C(C=C(C=C3OC)OC)OC)O

InChI

InChI=1S/C19H20O7/c1-22-10-5-12(20)18-13(21)9-17(26-16(18)8-10)19-14(24-3)6-11(23-2)7-15(19)25-4/h5-8,17,20H,9H2,1-4H3

InChIKey

JEXUYOSYJIRTIF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 360.1209 Da
Monoisotopic Mass: 3.0
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]+	361.128176	180.6
[M+Na]+	383.110118	189.5
[M-H]-	359.113624	188.4
[M+NH4]+	378.154723	192.8
[M+K]+	399.084058	189.0
[M+H-H2O]+	343.118160	172.1
[M+HCOO]-	405.119101	198.9
[M+CH3COO]-	419.134751	216.1
[M+Na-2H]-	381.095566	183.1
[M]+	360.12035142	188.3
[M]-	360.12144858	188.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.