CID 131752378

5,6,7,8-tetrahydroxy-3',4'-dimethoxyflavone

Structural Information

Molecular Formula
C17H14O8
SMILES
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)O)O)O)O)OC
InChI
InChI=1S/C17H14O8/c1-23-9-4-3-7(5-11(9)24-2)10-6-8(18)12-13(19)14(20)15(21)16(22)17(12)25-10/h3-6,19-22H,1-2H3
InChIKey
WTGSDFJZUGAHBH-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.06888 Da
Monoisotopic Mass

2.3
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.