CID 4260166

315233-13-7

Structural Information

Molecular Formula

C₂₁H₂₂O₄

SMILES

CCC1=CC2=C(C=C1OC(C)C)OC(=C(C2=O)OC3=CC=CC=C3)C

InChI

InChI=1S/C21H22O4/c1-5-15-11-17-19(12-18(15)23-13(2)3)24-14(4)21(20(17)22)25-16-9-7-6-8-10-16/h6-13H,5H2,1-4H3

InChIKey

AKVWAWQQMPLTTC-UHFFFAOYSA-N

Compound name

6-ethyl-2-methyl-3-phenoxy-7-propan-2-yloxychromen-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	180.1
[M+Na]+	361.141018	189.3
[M-H]-	337.144524	189.1
[M+NH4]+	356.185623	193.8
[M+K]+	377.114958	186.9
[M+H-H2O]+	321.149060	171.4
[M+HCOO]-	383.150001	200.8
[M+CH3COO]-	397.165651	215.1
[M+Na-2H]-	359.126466	183.5
[M]+	338.15125142	187.2
[M]-	338.15234858	187.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.