CID 5481951

3-(2,4-dimethoxyphenoxy)-5,7-dihydroxy-chromen-4-one

Structural Information

Molecular Formula
C17H14O7
SMILES
COC1=CC(=C(C=C1)OC2=COC3=CC(=CC(=C3C2=O)O)O)OC
InChI
InChI=1S/C17H14O7/c1-21-10-3-4-12(13(7-10)22-2)24-15-8-23-14-6-9(18)5-11(19)16(14)17(15)20/h3-8,18-19H,1-2H3
InChIKey
KHVZHMIUYXGOND-UHFFFAOYSA-N
Compound name
3-(2,4-dimethoxyphenoxy)-5,7-dihydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.07394 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.08122 170.4
[M+Na]+ 353.06316 180.9
[M-H]- 329.06666 177.6
[M+NH4]+ 348.10776 183.0
[M+K]+ 369.03710 179.6
[M+H-H2O]+ 313.07120 162.2
[M+HCOO]- 375.07214 190.8
[M+CH3COO]- 389.08779 206.0
[M+Na-2H]- 351.04861 176.0
[M]+ 330.07339 178.0
[M]- 330.07449 178.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.