CID 4556

Nsc692297

Structural Information

Molecular Formula

C₁₉H₂₃NO₂

SMILES

CC(=CCC1=C(C2=CC=CC=C2NC1=O)OCC=C(C)C)C

InChI

InChI=1S/C19H23NO2/c1-13(2)9-10-16-18(22-12-11-14(3)4)15-7-5-6-8-17(15)20-19(16)21/h5-9,11H,10,12H2,1-4H3,(H,20,21)

InChIKey

YADLZLRNLRNTCM-UHFFFAOYSA-N

Compound name

4-(3-methylbut-2-enoxy)-3-(3-methylbut-2-enyl)-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 297.17288 Da
Monoisotopic Mass: 4.5
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]+	298.180156	172.1
[M+Na]+	320.162098	179.3
[M-H]-	296.165604	173.6
[M+NH4]+	315.206703	186.9
[M+K]+	336.136038	173.6
[M+H-H2O]+	280.170140	164.7
[M+HCOO]-	342.171081	189.4
[M+CH3COO]-	356.186731	204.5
[M+Na-2H]-	318.147546	173.3
[M]+	297.17233142	173.5
[M]-	297.17342858	173.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.