CID 5380187

15485-76-4

Structural Information

Molecular Formula
C19H16O7
SMILES
CCOC(=O)C1=C(C(=O)C2=C(C=C(C=C2O1)O)O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C19H16O7/c1-3-25-19(23)18-15(10-4-6-12(24-2)7-5-10)17(22)16-13(21)8-11(20)9-14(16)26-18/h4-9,20-21H,3H2,1-2H3
InChIKey
WIXLQXLEPYJDRJ-UHFFFAOYSA-N
Compound name
ethyl 5,7-dihydroxy-3-(4-methoxyphenyl)-4-oxochromene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

36
Patents

356.0896 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.096876 178.6
[M+Na]+ 379.078818 188.3
[M-H]- 355.082324 185.6
[M+NH4]+ 374.123423 190.1
[M+K]+ 395.052758 186.6
[M+H-H2O]+ 339.086860 170.3
[M+HCOO]- 401.087801 197.5
[M+CH3COO]- 415.103451 211.6
[M+Na-2H]- 377.064266 182.0
[M]+ 356.08905142 185.5
[M]- 356.09014858 185.5
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