CID 3074201

Coumarin, 4,4'-(ethylenedioxy)di-

Structural Information

Molecular Formula
C20H14O6
SMILES
C1=CC=C2C(=C1)C(=CC(=O)O2)OCCOC3=CC(=O)OC4=CC=CC=C43
InChI
InChI=1S/C20H14O6/c21-19-11-17(13-5-1-3-7-15(13)25-19)23-9-10-24-18-12-20(22)26-16-8-4-2-6-14(16)18/h1-8,11-12H,9-10H2
InChIKey
YOMJUMFQCVQITO-UHFFFAOYSA-N
Compound name
4-[2-(2-oxochromen-4-yl)oxyethoxy]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.07904 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.08632 177.0
[M+Na]+ 373.06826 188.3
[M-H]- 349.07176 187.9
[M+NH4]+ 368.11286 189.1
[M+K]+ 389.04220 186.8
[M+H-H2O]+ 333.07630 167.1
[M+HCOO]- 395.07724 199.3
[M+CH3COO]- 409.09289 189.8
[M+Na-2H]- 371.05371 187.1
[M]+ 350.07849 186.4
[M]- 350.07959 186.4
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.