CID 5481955

Ethyl 3-(2,4-dimethoxyphenoxy)-5,7-dihydroxy-4-oxo-chromene-2-carboxylate

Structural Information

Molecular Formula
C20H18O9
SMILES
CCOC(=O)C1=C(C(=O)C2=C(C=C(C=C2O1)O)O)OC3=C(C=C(C=C3)OC)OC
InChI
InChI=1S/C20H18O9/c1-4-27-20(24)19-18(28-13-6-5-11(25-2)9-14(13)26-3)17(23)16-12(22)7-10(21)8-15(16)29-19/h5-9,21-22H,4H2,1-3H3
InChIKey
ZZTFUAVQAXNLGO-UHFFFAOYSA-N
Compound name
ethyl 3-(2,4-dimethoxyphenoxy)-5,7-dihydroxy-4-oxochromene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

402.0951 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.10238 187.9
[M+Na]+ 425.08432 197.1
[M-H]- 401.08782 194.9
[M+NH4]+ 420.12892 197.3
[M+K]+ 441.05826 197.2
[M+H-H2O]+ 385.09236 178.9
[M+HCOO]- 447.09330 206.6
[M+CH3COO]- 461.10895 220.7
[M+Na-2H]- 423.06977 190.4
[M]+ 402.09455 198.3
[M]- 402.09565 198.3
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

No patent data available for this compound.