CID 54677797

128366-03-0

Structural Information

Molecular Formula

C₁₃H₁₄N₂O₃

SMILES

CCCNC(=O)C1=C(C2=CC=CC=C2NC1=O)O

InChI

InChI=1S/C13H14N2O3/c1-2-7-14-12(17)10-11(16)8-5-3-4-6-9(8)15-13(10)18/h3-6H,2,7H2,1H3,(H,14,17)(H2,15,16,18)

InChIKey

MBDBECRYUXJQIQ-UHFFFAOYSA-N

Compound name

4-hydroxy-2-oxo-N-propyl-1H-quinoline-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 246.10045 Da
Monoisotopic Mass: 2.2
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]+	247.107726	153.3
[M+Na]+	269.089668	161.6
[M-H]-	245.093174	154.3
[M+NH4]+	264.134273	169.0
[M+K]+	285.063608	157.0
[M+H-H2O]+	229.097710	146.4
[M+HCOO]-	291.098651	173.1
[M+CH3COO]-	305.114301	191.9
[M+Na-2H]-	267.075116	158.8
[M]+	246.09990142	152.9
[M]-	246.10099858	152.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.