CID 626232

6-ethyl-7-methoxy-2-methyl-3-phenyl-4h-chromen-4-one

Structural Information

Molecular Formula
C19H18O3
SMILES
CCC1=CC2=C(C=C1OC)OC(=C(C2=O)C3=CC=CC=C3)C
InChI
InChI=1S/C19H18O3/c1-4-13-10-15-17(11-16(13)21-3)22-12(2)18(19(15)20)14-8-6-5-7-9-14/h5-11H,4H2,1-3H3
InChIKey
AGMFDOOWGCLDQI-UHFFFAOYSA-N
Compound name
6-ethyl-7-methoxy-2-methyl-3-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

294.12558 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.13286 167.4
[M+Na]+ 317.11480 178.1
[M-H]- 293.11830 176.7
[M+NH4]+ 312.15940 183.2
[M+K]+ 333.08874 174.8
[M+H-H2O]+ 277.12284 159.3
[M+HCOO]- 339.12378 189.6
[M+CH3COO]- 353.13943 206.1
[M+Na-2H]- 315.10025 173.0
[M]+ 294.12503 173.0
[M]- 294.12613 173.0
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.