CID 3111828

40375-97-1

Structural Information

Molecular Formula

C₁₆H₁₄ClN₃O₂

SMILES

C1=CC=C2C(=C1)NC(C(=O)N2)CC(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C16H14ClN3O2/c17-10-5-1-2-6-11(10)19-15(21)9-14-16(22)20-13-8-4-3-7-12(13)18-14/h1-8,14,18H,9H2,(H,19,21)(H,20,22)

InChIKey

IUWBBRSCFMRHLX-UHFFFAOYSA-N

Compound name

N-(2-chlorophenyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 315.07745 Da
Monoisotopic Mass: 2.4
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]+	316.084726	170.1
[M+Na]+	338.066668	177.1
[M-H]-	314.070174	171.8
[M+NH4]+	333.111273	181.8
[M+K]+	354.040608	169.4
[M+H-H2O]+	298.074710	161.7
[M+HCOO]-	360.075651	181.2
[M+CH3COO]-	374.091301	179.0
[M+Na-2H]-	336.052116	174.3
[M]+	315.07690142	166.7
[M]-	315.07799858	166.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.