CID 5386331

500865-17-8

Structural Information

Molecular Formula
C20H18O7
SMILES
CCOC(=O)C1=C(C(=O)C2=C(O1)C=C(C=C2)O)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C20H18O7/c1-4-26-20(23)19-17(11-5-8-14(24-2)16(9-11)25-3)18(22)13-7-6-12(21)10-15(13)27-19/h5-10,21H,4H2,1-3H3
InChIKey
VUTWEDFJWKGVHP-UHFFFAOYSA-N
Compound name
ethyl 3-(3,4-dimethoxyphenyl)-7-hydroxy-4-oxochromene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

370.10526 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.11254 182.9
[M+Na]+ 393.09448 192.5
[M-H]- 369.09798 191.0
[M+NH4]+ 388.13908 194.4
[M+K]+ 409.06842 191.4
[M+H-H2O]+ 353.10252 174.1
[M+HCOO]- 415.10346 202.9
[M+CH3COO]- 429.11911 216.6
[M+Na-2H]- 391.07993 186.1
[M]+ 370.10471 191.8
[M]- 370.10581 191.8
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.