CID 66560027

6-bromo-7-ethoxy-1-methyl-1,2,3,4-tetrahydroquinolin-2-one

Structural Information

Molecular Formula

C₁₂H₁₄BrNO₂

SMILES

CCOC1=C(C=C2CCC(=O)N(C2=C1)C)Br

InChI

InChI=1S/C12H14BrNO2/c1-3-16-11-7-10-8(6-9(11)13)4-5-12(15)14(10)2/h6-7H,3-5H2,1-2H3

InChIKey

UYVLABJFJCNDHL-UHFFFAOYSA-N

Compound name

6-bromo-7-ethoxy-1-methyl-3,4-dihydroquinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 283.02078 Da
Monoisotopic Mass: 2.3
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]+	284.028056	154.2
[M+Na]+	306.009998	166.3
[M-H]-	282.013504	160.1
[M+NH4]+	301.054603	174.1
[M+K]+	321.983938	155.2
[M+H-H2O]+	266.018040	153.7
[M+HCOO]-	328.018981	171.7
[M+CH3COO]-	342.034631	198.4
[M+Na-2H]-	303.995446	160.2
[M]+	283.02023142	173.8
[M]-	283.02132858	173.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.