CID 44259710

3,3'-dimethylmyricetin

Structural Information

Molecular Formula
C17H14O8
SMILES
COC1=CC(=CC(=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC
InChI
InChI=1S/C17H14O8/c1-23-12-4-7(3-10(20)14(12)21)16-17(24-2)15(22)13-9(19)5-8(18)6-11(13)25-16/h3-6,18-21H,1-2H3
InChIKey
ZMQFEBINFTWTLH-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-methoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

76
Patents

346.06888 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe