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]+ 353.138346 183.9
[M+Na]+ 375.120288 193.8
[M-H]- 351.123794 194.9
[M+NH4]+ 370.164893 195.3
[M+K]+ 391.094228 193.5
[M+H-H2O]+ 335.128330 174.7
[M+HCOO]- 397.129271 200.4
[M+CH3COO]- 411.144921 195.6
[M+Na-2H]- 373.105736 189.6
[M]+ 352.13052142 190.4
[M]- 352.13161858 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.