CID 44259638

Myricetin 7,4'-dimethyl ether

Structural Information

Molecular Formula
C17H14O8
SMILES
COC1=CC(=C2C(=C1)OC(=C(C2=O)O)C3=CC(=C(C(=C3)O)OC)O)O
InChI
InChI=1S/C17H14O8/c1-23-8-5-9(18)13-12(6-8)25-16(15(22)14(13)21)7-3-10(19)17(24-2)11(20)4-7/h3-6,18-20,22H,1-2H3
InChIKey
CELGBKOELNGZSJ-UHFFFAOYSA-N
Compound name
2-(3,5-dihydroxy-4-methoxyphenyl)-3,5-dihydroxy-7-methoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1
Patents

346.06888 Da
Monoisotopic Mass

1.8
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