CID 2131312

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

Structural Information

Molecular Formula
C19H18O4
SMILES
CCOC1=CC2=C(C=C1)C(=O)C(=C(O2)C)C3=CC=C(C=C3)OC
InChI
InChI=1S/C19H18O4/c1-4-22-15-9-10-16-17(11-15)23-12(2)18(19(16)20)13-5-7-14(21-3)8-6-13/h5-11H,4H2,1-3H3
InChIKey
YFCQDYWCKNCIBJ-UHFFFAOYSA-N
Compound name
7-ethoxy-3-(4-methoxyphenyl)-2-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

310.1205 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.127776 170.7
[M+Na]+ 333.109718 181.2
[M-H]- 309.113224 180.0
[M+NH4]+ 328.154323 185.7
[M+K]+ 349.083658 178.6
[M+H-H2O]+ 293.117760 162.3
[M+HCOO]- 355.118701 193.1
[M+CH3COO]- 369.134351 208.3
[M+Na-2H]- 331.095166 176.3
[M]+ 310.11995142 177.8
[M]- 310.12104858 177.8
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.