CID 54682853

Schembl852747

Structural Information

Molecular Formula
C17H14N2O3
SMILES
CN(C1=CC=CC=C1)C(=O)C2=C(C3=CC=CC=C3NC2=O)O
InChI
InChI=1S/C17H14N2O3/c1-19(11-7-3-2-4-8-11)17(22)14-15(20)12-9-5-6-10-13(12)18-16(14)21/h2-10H,1H3,(H2,18,20,21)
InChIKey
ZZCUZAQEHJPLGL-UHFFFAOYSA-N
Compound name
4-hydroxy-N-methyl-2-oxo-N-phenyl-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

294.10043 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.107706 165.3
[M+Na]+ 317.089648 173.1
[M-H]- 293.093154 170.8
[M+NH4]+ 312.134253 179.1
[M+K]+ 333.063588 168.6
[M+H-H2O]+ 277.097690 156.7
[M+HCOO]- 339.098631 185.6
[M+CH3COO]- 353.114281 203.4
[M+Na-2H]- 315.075096 170.7
[M]+ 294.09988142 164.9
[M]- 294.10097858 164.9
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