CID 746345

7-ethoxy-2-methyl-3-(4-propylphenoxy)-4h-chromen-4-one

Structural Information

Molecular Formula
C21H22O4
SMILES
CCCC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OCC)C
InChI
InChI=1S/C21H22O4/c1-4-6-15-7-9-16(10-8-15)25-21-14(3)24-19-13-17(23-5-2)11-12-18(19)20(21)22/h7-13H,4-6H2,1-3H3
InChIKey
YZSLVVSQOQAVHG-UHFFFAOYSA-N
Compound name
7-ethoxy-2-methyl-3-(4-propylphenoxy)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

338.1518 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.15908 180.3
[M+Na]+ 361.14102 189.8
[M-H]- 337.14452 189.1
[M+NH4]+ 356.18562 194.1
[M+K]+ 377.11496 186.8
[M+H-H2O]+ 321.14906 171.4
[M+HCOO]- 383.15000 201.9
[M+CH3COO]- 397.16565 214.2
[M+Na-2H]- 359.12647 184.7
[M]+ 338.15125 188.0
[M]- 338.15235 188.0
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.