CID 854110

7-methyl-5-((2-methylallyl)oxy)-4-phenyl-2h-chromen-2-one

Structural Information

Molecular Formula

C₂₀H₁₈O₃

SMILES

CC1=CC2=C(C(=CC(=O)O2)C3=CC=CC=C3)C(=C1)OCC(=C)C

InChI

InChI=1S/C20H18O3/c1-13(2)12-22-17-9-14(3)10-18-20(17)16(11-19(21)23-18)15-7-5-4-6-8-15/h4-11H,1,12H2,2-3H3

InChIKey

QEQIQMVFGPRCTJ-UHFFFAOYSA-N

Compound name

7-methyl-5-(2-methylprop-2-enoxy)-4-phenylchromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 306.12558 Da
Monoisotopic Mass: 4.7
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]+	307.132856	170.9
[M+Na]+	329.114798	180.2
[M-H]-	305.118304	179.7
[M+NH4]+	324.159403	185.7
[M+K]+	345.088738	176.6
[M+H-H2O]+	289.122840	162.6
[M+HCOO]-	351.123781	192.0
[M+CH3COO]-	365.139431	208.0
[M+Na-2H]-	327.100246	175.5
[M]+	306.12503142	175.1
[M]-	306.12612858	175.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.