CID 44260067

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

Structural Information

Molecular Formula
C18H16O9
SMILES
COC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)O)OC)OC
InChI
InChI=1S/C18H16O9/c1-24-16-12(22)10-11(21)13(23)14(7-4-5-8(19)9(20)6-7)27-15(10)17(25-2)18(16)26-3/h4-6,19-20,22-23H,1-3H3
InChIKey
OFGHNZOBBMHLFF-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6,7,8-trimethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.07944 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.08672 181.4
[M+Na]+ 399.06866 192.3
[M-H]- 375.07216 186.8
[M+NH4]+ 394.11326 191.2
[M+K]+ 415.04260 191.5
[M+H-H2O]+ 359.07670 173.4
[M+HCOO]- 421.07764 198.4
[M+CH3COO]- 435.09329 214.2
[M+Na-2H]- 397.05411 183.8
[M]+ 376.07889 190.0
[M]- 376.07999 190.0
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

No patent data available for this compound.