CID 43668359

6-bromo-2-ethyl-1,4-dihydroquinolin-4-one

Structural Information

Molecular Formula

C₁₁H₁₀BrNO

SMILES

CCC1=CC(=O)C2=C(N1)C=CC(=C2)Br

InChI

InChI=1S/C11H10BrNO/c1-2-8-6-11(14)9-5-7(12)3-4-10(9)13-8/h3-6H,2H2,1H3,(H,13,14)

InChIKey

UZMYSYFCVITQRL-UHFFFAOYSA-N

Compound name

6-bromo-2-ethyl-1H-quinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 250.99458 Da
Monoisotopic Mass: 3.1
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]+	252.001856	144.7
[M+Na]+	273.983798	158.0
[M-H]-	249.987304	149.9
[M+NH4]+	269.028403	165.2
[M+K]+	289.957738	145.4
[M+H-H2O]+	233.991840	144.8
[M+HCOO]-	295.992781	163.7
[M+CH3COO]-	310.008431	189.6
[M+Na-2H]-	271.969246	153.3
[M]+	250.99403142	163.3
[M]-	250.99512858	163.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe