CID 44531217

3-bromo-7-methoxy-2-methylquinolin-4-ol

Structural Information

Molecular Formula

C₁₁H₁₀BrNO₂

SMILES

CC1=C(C(=O)C2=C(N1)C=C(C=C2)OC)Br

InChI

InChI=1S/C11H10BrNO2/c1-6-10(12)11(14)8-4-3-7(15-2)5-9(8)13-6/h3-5H,1-2H3,(H,13,14)

InChIKey

KUIKNYSGQSWIDU-UHFFFAOYSA-N

Compound name

3-bromo-7-methoxy-2-methyl-1H-quinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 266.9895 Da
Monoisotopic Mass: 2.8
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]+	267.996776	147.1
[M+Na]+	289.978718	161.1
[M-H]-	265.982224	152.6
[M+NH4]+	285.023323	167.2
[M+K]+	305.952658	149.1
[M+H-H2O]+	249.986760	147.1
[M+HCOO]-	311.987701	166.3
[M+CH3COO]-	326.003351	192.6
[M+Na-2H]-	287.964166	155.1
[M]+	266.98895142	167.4
[M]-	266.99004858	167.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.