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]+ 311.12778 170.7
[M+Na]+ 333.10972 181.2
[M-H]- 309.11322 180.0
[M+NH4]+ 328.15432 185.7
[M+K]+ 349.08366 178.6
[M+H-H2O]+ 293.11776 162.3
[M+HCOO]- 355.11870 193.1
[M+CH3COO]- 369.13435 208.3
[M+Na-2H]- 331.09517 176.3
[M]+ 310.11995 177.8
[M]- 310.12105 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.