CID 688674

3',4'-dimethoxyflavone

Structural Information

Molecular Formula
C17H14O4
SMILES
COC1=C(C=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2)OC
InChI
InChI=1S/C17H14O4/c1-19-15-8-7-11(9-17(15)20-2)16-10-13(18)12-5-3-4-6-14(12)21-16/h3-10H,1-2H3
InChIKey
ZGHORMOOTZTQFL-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

48
References

242
Patents

282.0892 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.09648 160.9
[M+Na]+ 305.07842 178.3
[M+NH4]+ 300.12302 169.7
[M+K]+ 321.05236 170.3
[M-H]- 281.08192 167.5
[M+Na-2H]- 303.06387 170.1
[M]+ 282.08865 165.6
[M]- 282.08975 165.6
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