CID 54680441

300803-79-6

Structural Information

Molecular Formula
C17H14N2O3
SMILES
C1=CC=C(C=C1)CNC(=O)C2=C(C3=CC=CC=C3NC2=O)O
InChI
InChI=1S/C17H14N2O3/c20-15-12-8-4-5-9-13(12)19-17(22)14(15)16(21)18-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,18,21)(H2,19,20,22)
InChIKey
WKAZEVUZAKRWHB-UHFFFAOYSA-N
Compound name
N-benzyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

3
Patents

294.10043 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.10771 165.4
[M+Na]+ 317.08965 173.1
[M-H]- 293.09315 169.4
[M+NH4]+ 312.13425 178.5
[M+K]+ 333.06359 167.1
[M+H-H2O]+ 277.09769 156.9
[M+HCOO]- 339.09863 185.1
[M+CH3COO]- 353.11428 200.2
[M+Na-2H]- 315.07510 171.5
[M]+ 294.09988 163.8
[M]- 294.10098 163.8
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.