CID 66560026

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

Structural Information

Molecular Formula

C₁₁H₁₂BrNO₂

SMILES

CCOC1=C(C=C2CCC(=O)NC2=C1)Br

InChI

InChI=1S/C11H12BrNO2/c1-2-15-10-6-9-7(5-8(10)12)3-4-11(14)13-9/h5-6H,2-4H2,1H3,(H,13,14)

InChIKey

FWJZBMVSCPUZDY-UHFFFAOYSA-N

Compound name

6-bromo-7-ethoxy-3,4-dihydro-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 269.00513 Da
Monoisotopic Mass: 2.1
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]+	270.012406	150.9
[M+Na]+	291.994348	162.0
[M-H]-	267.997854	155.2
[M+NH4]+	287.038953	170.3
[M+K]+	307.968288	150.3
[M+H-H2O]+	252.002390	150.6
[M+HCOO]-	314.003331	167.3
[M+CH3COO]-	328.018981	192.1
[M+Na-2H]-	289.979796	157.5
[M]+	269.00458142	168.1
[M]-	269.00567858	168.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.