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

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]+	339.159076	180.3
[M+Na]+	361.141018	189.8
[M-H]-	337.144524	189.1
[M+NH4]+	356.185623	194.1
[M+K]+	377.114958	186.8
[M+H-H2O]+	321.149060	171.4
[M+HCOO]-	383.150001	201.9
[M+CH3COO]-	397.165651	214.2
[M+Na-2H]-	359.126466	184.7
[M]+	338.15125142	188.0
[M]-	338.15234858	188.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.