CID 478766

Chembl289564

Structural Information

Molecular Formula

C₁₂H₁₁ClN₂O₂

SMILES

CCN1C=C(C(=O)C2=C1C=C(C=C2)Cl)C(=O)N

InChI

InChI=1S/C12H11ClN2O2/c1-2-15-6-9(12(14)17)11(16)8-4-3-7(13)5-10(8)15/h3-6H,2H2,1H3,(H2,14,17)

InChIKey

LXAIKELQJDFKNX-UHFFFAOYSA-N

Compound name

7-chloro-1-ethyl-4-oxoquinoline-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 250.0509 Da
Monoisotopic Mass: 0.0
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]+	251.05818	151.4
[M+Na]+	273.04012	162.8
[M-H]-	249.04362	155.0
[M+NH4]+	268.08472	169.4
[M+K]+	289.01406	157.5
[M+H-H2O]+	233.04816	145.5
[M+HCOO]-	295.04910	169.2
[M+CH3COO]-	309.06475	196.6
[M+Na-2H]-	271.02557	156.2
[M]+	250.05035	154.6
[M]-	250.05145	154.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.