CID 5468947

Nsc679901

Structural Information

Molecular Formula

C₂₁H₂₆O₅

SMILES

CCCC1=CC(=O)OC2=C1C(=CC(=C2C(=O)/C(=C/C)/C)OCC)OCC

InChI

InChI=1S/C21H26O5/c1-6-10-14-11-17(22)26-21-18(14)15(24-8-3)12-16(25-9-4)19(21)20(23)13(5)7-2/h7,11-12H,6,8-10H2,1-5H3/b13-7+

InChIKey

ASXYHYBARCQXOB-NTUHNPAUSA-N

Compound name

5,7-diethoxy-8-[(E)-2-methylbut-2-enoyl]-4-propylchromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 358.178 Da
Monoisotopic Mass: 4.4
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]+	359.185276	184.8
[M+Na]+	381.167218	193.0
[M-H]-	357.170724	190.1
[M+NH4]+	376.211823	198.0
[M+K]+	397.141158	190.9
[M+H-H2O]+	341.175260	177.3
[M+HCOO]-	403.176201	203.7
[M+CH3COO]-	417.191851	220.0
[M+Na-2H]-	379.152666	185.0
[M]+	358.17745142	194.1
[M]-	358.17854858	194.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.