CID 987626

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-ethoxy-2,8-dimethyl-4h-chromen-4-one

Structural Information

Molecular Formula
C21H20O5
SMILES
CCOC1=C(C2=C(C=C1)C(=O)C(=C(O2)C)C3=CC4=C(C=C3)OCCO4)C
InChI
InChI=1S/C21H20O5/c1-4-23-16-8-6-15-20(22)19(13(3)26-21(15)12(16)2)14-5-7-17-18(11-14)25-10-9-24-17/h5-8,11H,4,9-10H2,1-3H3
InChIKey
PRADBILYCPRLJQ-UHFFFAOYSA-N
Compound name
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-ethoxy-2,8-dimethylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

352.13107 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.13835 183.9
[M+Na]+ 375.12029 193.8
[M-H]- 351.12379 194.9
[M+NH4]+ 370.16489 195.3
[M+K]+ 391.09423 193.5
[M+H-H2O]+ 335.12833 174.7
[M+HCOO]- 397.12927 200.4
[M+CH3COO]- 411.14492 195.6
[M+Na-2H]- 373.10574 189.6
[M]+ 352.13052 190.4
[M]- 352.13162 190.4
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.