CID 361050

Nsc623793

Structural Information

Molecular Formula
C20H16O6
SMILES
CCOC(=O)C1COC2=C(O1)C=CC(=C2)C3=CC(=O)C4=CC=CC=C4O3
InChI
InChI=1S/C20H16O6/c1-2-23-20(22)19-11-24-18-9-12(7-8-16(18)26-19)17-10-14(21)13-5-3-4-6-15(13)25-17/h3-10,19H,2,11H2,1H3
InChIKey
LZIOVLJGKCCYKV-UHFFFAOYSA-N
Compound name
ethyl 6-(4-oxochromen-2-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.0947 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.10198 179.5
[M+Na]+ 375.08392 187.9
[M-H]- 351.08742 190.0
[M+NH4]+ 370.12852 190.0
[M+K]+ 391.05786 188.3
[M+H-H2O]+ 335.09196 170.3
[M+HCOO]- 397.09290 195.8
[M+CH3COO]- 411.10855 190.9
[M+Na-2H]- 373.06937 186.3
[M]+ 352.09415 184.9
[M]- 352.09525 184.9
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.