CID 54677806

378199-95-2

Structural Information

Molecular Formula

C₁₄H₁₇N₃O₃

SMILES

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

InChI

InChI=1S/C14H17N3O3/c1-2-15-7-8-16-13(19)11-12(18)9-5-3-4-6-10(9)17-14(11)20/h3-6,15H,2,7-8H2,1H3,(H,16,19)(H2,17,18,20)

InChIKey

NDPWLIDXHIDCEX-UHFFFAOYSA-N

Compound name

N-[2-(ethylamino)ethyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 275.12698 Da
Monoisotopic Mass: 1.2
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]+	276.134256	160.9
[M+Na]+	298.116198	167.8
[M-H]-	274.119704	161.6
[M+NH4]+	293.160803	175.0
[M+K]+	314.090138	163.2
[M+H-H2O]+	258.124240	153.4
[M+HCOO]-	320.125181	181.4
[M+CH3COO]-	334.140831	200.3
[M+Na-2H]-	296.101646	166.5
[M]+	275.12643142	160.1
[M]-	275.12752858	160.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.