CID 5481952

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

Structural Information

Molecular Formula
C18H16O7
SMILES
COC1=CC(=C(C=C1)OC2=COC3=CC(=CC(=C3C2=O)O)OC)OC
InChI
InChI=1S/C18H16O7/c1-21-10-4-5-13(14(7-10)23-3)25-16-9-24-15-8-11(22-2)6-12(19)17(15)18(16)20/h4-9,19H,1-3H3
InChIKey
BCMZPEJQULDOFP-UHFFFAOYSA-N
Compound name
3-(2,4-dimethoxyphenoxy)-5-hydroxy-7-methoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

344.0896 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.09688 174.7
[M+Na]+ 367.07882 185.2
[M-H]- 343.08232 183.1
[M+NH4]+ 362.12342 187.5
[M+K]+ 383.05276 184.5
[M+H-H2O]+ 327.08686 166.0
[M+HCOO]- 389.08780 196.3
[M+CH3COO]- 403.10345 211.1
[M+Na-2H]- 365.06427 180.2
[M]+ 344.08905 184.4
[M]- 344.09015 184.4
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.