CID 252470

6-ethoxy-3-(4-ethoxyphenyl)-5,7-dimethyl-4h-chromen-4-one

Structural Information

Molecular Formula
C21H22O4
SMILES
CCOC1=CC=C(C=C1)C2=COC3=C(C2=O)C(=C(C(=C3)C)OCC)C
InChI
InChI=1S/C21H22O4/c1-5-23-16-9-7-15(8-10-16)17-12-25-18-11-13(3)21(24-6-2)14(4)19(18)20(17)22/h7-12H,5-6H2,1-4H3
InChIKey
HIEBZJIRSCFDNU-UHFFFAOYSA-N
Compound name
6-ethoxy-3-(4-ethoxyphenyl)-5,7-dimethylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.1518 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.15908 180.1
[M+Na]+ 361.14102 190.5
[M-H]- 337.14452 189.4
[M+NH4]+ 356.18562 194.2
[M+K]+ 377.11496 187.7
[M+H-H2O]+ 321.14906 171.4
[M+HCOO]- 383.15000 201.7
[M+CH3COO]- 397.16565 215.5
[M+Na-2H]- 359.12647 183.9
[M]+ 338.15125 188.2
[M]- 338.15235 188.2
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.