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

literature stripe

Patent stripe

patents stripe