CID 478765

Chembl291071

Structural Information

Molecular Formula
C12H11FN2O2
SMILES
CCN1C=C(C(=O)C2=C1C=C(C=C2)F)C(=O)N
InChI
InChI=1S/C12H11FN2O2/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
GQBNNWYJULMWBG-UHFFFAOYSA-N
Compound name
1-ethyl-7-fluoro-4-oxoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

234.08046 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.08774 148.2
[M+Na]+ 257.06968 158.9
[M-H]- 233.07318 150.6
[M+NH4]+ 252.11428 165.9
[M+K]+ 273.04362 154.8
[M+H-H2O]+ 217.07772 140.4
[M+HCOO]- 279.07866 169.4
[M+CH3COO]- 293.09431 195.5
[M+Na-2H]- 255.05513 152.7
[M]+ 234.07991 148.1
[M]- 234.08101 148.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.