CID 2841522

36932-43-1

Structural Information

Molecular Formula

C₁₇H₁₇N₃O₂

SMILES

C1=CC=C(C=C1)CNC(=O)CC2C(=O)NC3=CC=CC=C3N2

InChI

InChI=1S/C17H17N3O2/c21-16(18-11-12-6-2-1-3-7-12)10-15-17(22)20-14-9-5-4-8-13(14)19-15/h1-9,15,19H,10-11H2,(H,18,21)(H,20,22)

InChIKey

KDLAOUYNKLLIJE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 14
Patents: 295.13208 Da
Monoisotopic Mass: 1.7
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]+	296.139356	168.1
[M+Na]+	318.121298	173.0
[M-H]-	294.124804	169.4
[M+NH4]+	313.165903	179.3
[M+K]+	334.095238	166.4
[M+H-H2O]+	278.129340	158.7
[M+HCOO]-	340.130281	183.5
[M+CH3COO]-	354.145931	176.6
[M+Na-2H]-	316.106746	173.1
[M]+	295.13153142	162.3
[M]-	295.13262858	162.3

Literature stripe

literature stripe

Patent stripe

patents stripe