CID 44258041

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

Structural Information

Molecular Formula
C18H16O9
SMILES
COC1=CC(=CC(=C1O)O)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC
InChI
InChI=1S/C18H16O9/c1-24-11-5-7(4-8(19)13(11)21)16-18(26-3)15(23)12-10(27-16)6-9(20)17(25-2)14(12)22/h4-6,19-22H,1-3H3
InChIKey
SPLCCLBYRBKYMR-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3,6-dimethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
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

patents stripe