CID 5319878

5-hydroxy-2',3',7,8-tetramethoxyflavone

Structural Information

Molecular Formula
C19H18O7
SMILES
COC1=CC=CC(=C1OC)C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC)OC
InChI
InChI=1S/C19H18O7/c1-22-13-7-5-6-10(17(13)24-3)14-8-11(20)16-12(21)9-15(23-2)18(25-4)19(16)26-14/h5-9,21H,1-4H3
InChIKey
BOWQAZJBVPUOQA-UHFFFAOYSA-N
Compound name
2-(2,3-dimethoxyphenyl)-5-hydroxy-7,8-dimethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
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 179.5
[M+Na]+ 381.09448 190.4
[M-H]- 357.09798 188.1
[M+NH4]+ 376.13908 192.0
[M+K]+ 397.06842 189.6
[M+H-H2O]+ 341.10252 170.8
[M+HCOO]- 403.10346 200.6
[M+CH3COO]- 417.11911 215.4
[M+Na-2H]- 379.07993 183.7
[M]+ 358.10471 189.9
[M]- 358.10581 189.9
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