CID 54695560

Stl333428

Structural Information

Molecular Formula
C17H12FN3O3
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)C2=C(C3=CC=CC=C3NC2=O)O)F
InChI
InChI=1S/C17H12FN3O3/c18-12-7-3-1-5-10(12)9-19-21-17(24)14-15(22)11-6-2-4-8-13(11)20-16(14)23/h1-9H,(H,21,24)(H2,20,22,23)/b19-9+
InChIKey
IZACUVNXTICOEN-DJKKODMXSA-N
Compound name
N-[(E)-(2-fluorophenyl)methylideneamino]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.08627 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.09355 171.2
[M+Na]+ 348.07549 179.7
[M-H]- 324.07899 175.4
[M+NH4]+ 343.12009 183.5
[M+K]+ 364.04943 173.6
[M+H-H2O]+ 308.08353 161.2
[M+HCOO]- 370.08447 192.5
[M+CH3COO]- 384.10012 210.3
[M+Na-2H]- 346.06094 176.9
[M]+ 325.08572 169.3
[M]- 325.08682 169.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.