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 176.0
[M+Na]+ 373.06826 195.0
[M+NH4]+ 368.11286 184.0
[M+K]+ 389.04220 186.7
[M-H]- 349.07176 184.0
[M+Na-2H]- 371.05371 184.9
[M]+ 350.07849 181.4
[M]- 350.07959 181.4
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.