CID 54676449

Oprea1_109622

Structural Information

Molecular Formula

C₁₇H₁₄N₂O₃

SMILES

CN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=CC=CC=C3)O

InChI

InChI=1S/C17H14N2O3/c1-19-13-10-6-5-9-12(13)15(20)14(17(19)22)16(21)18-11-7-3-2-4-8-11/h2-10,20H,1H3,(H,18,21)

InChIKey

SCIYKTDXFNBCIV-UHFFFAOYSA-N

Compound name

4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 33
Patents: 294.10043 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	295.10771	166.5
[M+Na]+	317.08965	181.6
[M+NH4]+	312.13425	173.9
[M+K]+	333.06359	174.5
[M-H]-	293.09315	170.7
[M+Na-2H]-	315.07510	174.7
[M]+	294.09988	169.8
[M]-	294.10098	169.8

Literature stripe

literature stripe

Patent stripe

patents stripe