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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	295.132856	167.4
[M+Na]+	317.114798	178.1
[M-H]-	293.118304	176.7
[M+NH4]+	312.159403	183.2
[M+K]+	333.088738	174.8
[M+H-H2O]+	277.122840	159.3
[M+HCOO]-	339.123781	189.6
[M+CH3COO]-	353.139431	206.1
[M+Na-2H]-	315.100246	173.0
[M]+	294.12503142	173.0
[M]-	294.12612858	173.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.