CID 44258281

5,7,3'-trihydroxy-4',5'-dimethoxy-6,8-dimethylflavone

Structural Information

Molecular Formula
C19H18O7
SMILES
CC1=C(C(=C2C(=C1O)C(=O)C=C(O2)C3=CC(=C(C(=C3)OC)OC)O)C)O
InChI
InChI=1S/C19H18O7/c1-8-16(22)9(2)18-15(17(8)23)11(20)7-13(26-18)10-5-12(21)19(25-4)14(6-10)24-3/h5-7,21-23H,1-4H3
InChIKey
XUDRGVRVQBMMIB-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-6,8-dimethylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.10526 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.11254 180.7
[M+Na]+ 381.09448 192.4
[M-H]- 357.09798 187.3
[M+NH4]+ 376.13908 192.3
[M+K]+ 397.06842 190.3
[M+H-H2O]+ 341.10252 172.9
[M+HCOO]- 403.10346 198.6
[M+CH3COO]- 417.11911 214.2
[M+Na-2H]- 379.07993 182.6
[M]+ 358.10471 188.5
[M]- 358.10581 188.5
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.