CID 24721651

3,7-dimethylmyricetin

Structural Information

Molecular Formula

C₁₇H₁₄O₈

SMILES

COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C(=C3)O)O)O)O

InChI

InChI=1S/C17H14O8/c1-23-8-5-9(18)13-12(6-8)25-16(17(24-2)15(13)22)7-3-10(19)14(21)11(20)4-7/h3-6,18-21H,1-2H3

InChIKey

AYZJFGWBKISWDK-UHFFFAOYSA-N

Compound name

5-hydroxy-3,7-dimethoxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1
Patents: 346.06888 Da
Monoisotopic Mass: 2.5
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]+	347.076156	174.3
[M+Na]+	369.058098	185.3
[M-H]-	345.061604	179.5
[M+NH4]+	364.102703	185.3
[M+K]+	385.032038	183.6
[M+H-H2O]+	329.066140	166.7
[M+HCOO]-	391.067081	191.7
[M+CH3COO]-	405.082731	207.3
[M+Na-2H]-	367.043546	177.7
[M]+	346.06833142	180.7
[M]-	346.06942858	180.7

Literature stripe

literature stripe

Patent stripe

patents stripe