CID 153441

5,8-dihydroxy-6,7-dimethoxyflavone

Structural Information

Molecular Formula
C17H14O6
SMILES
COC1=C(C(=C2C(=C1O)C(=O)C=C(O2)C3=CC=CC=C3)O)OC
InChI
InChI=1S/C17H14O6/c1-21-16-13(19)12-10(18)8-11(9-6-4-3-5-7-9)23-15(12)14(20)17(16)22-2/h3-8,19-20H,1-2H3
InChIKey
RXSYNUMMIWXLLC-UHFFFAOYSA-N
Compound name
5,8-dihydroxy-6,7-dimethoxy-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

314.07904 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.08632 167.8
[M+Na]+ 337.06826 178.7
[M-H]- 313.07176 175.1
[M+NH4]+ 332.11286 181.3
[M+K]+ 353.04220 176.6
[M+H-H2O]+ 297.07630 160.0
[M+HCOO]- 359.07724 188.1
[M+CH3COO]- 373.09289 203.6
[M+Na-2H]- 335.05371 173.2
[M]+ 314.07849 174.0
[M]- 314.07959 174.0
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