CID 5481954

3-(2,4-dimethoxyphenoxy)-5,7-dihydroxy-4-oxo-chromene-2-carboxylic acid

Structural Information

Molecular Formula
C18H14O9
SMILES
COC1=CC(=C(C=C1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C(=O)O)OC
InChI
InChI=1S/C18H14O9/c1-24-9-3-4-11(12(7-9)25-2)26-16-15(21)14-10(20)5-8(19)6-13(14)27-17(16)18(22)23/h3-7,19-20H,1-2H3,(H,22,23)
InChIKey
ZTZSNUCLTKDVDL-UHFFFAOYSA-N
Compound name
3-(2,4-dimethoxyphenoxy)-5,7-dihydroxy-4-oxochromene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.06378 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.07106 178.8
[M+Na]+ 397.05300 188.5
[M-H]- 373.05650 184.8
[M+NH4]+ 392.09760 188.6
[M+K]+ 413.02694 188.1
[M+H-H2O]+ 357.06104 170.4
[M+HCOO]- 419.06198 196.7
[M+CH3COO]- 433.07763 213.6
[M+Na-2H]- 395.03845 182.0
[M]+ 374.06323 186.9
[M]- 374.06433 186.9
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

No patent data available for this compound.