CID 404571

107585-75-1

Structural Information

Molecular Formula

C₁₇H₁₆O₆

SMILES

COC1=C(C=C(C=C1)CC2COC3=CC(=CC(=C3C2=O)O)O)O

InChI

InChI=1S/C17H16O6/c1-22-14-3-2-9(5-12(14)19)4-10-8-23-15-7-11(18)6-13(20)16(15)17(10)21/h2-3,5-7,10,18-20H,4,8H2,1H3

InChIKey

WIBOONWRYQFYQJ-UHFFFAOYSA-N

Compound name

5,7-dihydroxy-3-[(3-hydroxy-4-methoxyphenyl)methyl]-2,3-dihydrochromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 316.0947 Da
Monoisotopic Mass: 2.8
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]+	317.101976	169.7
[M+Na]+	339.083918	178.1
[M-H]-	315.087424	174.8
[M+NH4]+	334.128523	182.2
[M+K]+	355.057858	175.4
[M+H-H2O]+	299.091960	162.3
[M+HCOO]-	361.092901	185.6
[M+CH3COO]-	375.108551	202.2
[M+Na-2H]-	337.069366	172.9
[M]+	316.09415142	171.3
[M]-	316.09524858	171.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.