CID 6250403

3,7-dihydroxy-3',4',5'-trimethoxyflavone

Structural Information

Molecular Formula
C18H16O7
SMILES
COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O
InChI
InChI=1S/C18H16O7/c1-22-13-6-9(7-14(23-2)18(13)24-3)17-16(21)15(20)11-5-4-10(19)8-12(11)25-17/h4-8,19,21H,1-3H3
InChIKey
NJNGYVOYOVPWBB-UHFFFAOYSA-N
Compound name
3,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

18
Patents

344.0896 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.09688 176.3
[M+Na]+ 367.07882 191.9
[M+NH4]+ 362.12342 182.4
[M+K]+ 383.05276 186.5
[M-H]- 343.08232 180.6
[M+Na-2H]- 365.06427 181.8
[M]+ 344.08905 179.8
[M]- 344.09015 179.8
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