CID 59316622

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

Structural Information

Molecular Formula

C₁₀H₁₀BrNO₂

SMILES

COC1=C(C=C2CCC(=O)NC2=C1)Br

InChI

InChI=1S/C10H10BrNO2/c1-14-9-5-8-6(4-7(9)11)2-3-10(13)12-8/h4-5H,2-3H2,1H3,(H,12,13)

InChIKey

XXCLETAREMGZFZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 254.98949 Da
Monoisotopic Mass: 1.7
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]+	255.996766	146.2
[M+Na]+	277.978708	157.9
[M-H]-	253.982214	150.8
[M+NH4]+	273.023313	166.3
[M+K]+	293.952648	146.3
[M+H-H2O]+	237.986750	146.2
[M+HCOO]-	299.987691	163.0
[M+CH3COO]-	314.003341	189.3
[M+Na-2H]-	275.964156	153.5
[M]+	254.98894142	163.1
[M]-	254.99003858	163.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe