CID 587596

40598-92-3

Structural Information

Molecular Formula

C₁₆H₁₁ClN₂O₂

SMILES

C1=CC=C2C(=C1)NC(=O)C(=N2)CC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H11ClN2O2/c17-11-7-5-10(6-8-11)15(20)9-14-16(21)19-13-4-2-1-3-12(13)18-14/h1-8H,9H2,(H,19,21)

InChIKey

PFUPENWSRATQRL-UHFFFAOYSA-N

Compound name

3-[2-(4-chlorophenyl)-2-oxoethyl]-1H-quinoxalin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 1
Patents: 298.0509 Da
Monoisotopic Mass: 2.8
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]+	299.05818	165.0
[M+Na]+	321.04012	182.4
[M+NH4]+	316.08472	173.1
[M+K]+	337.01406	173.6
[M-H]-	297.04362	168.7
[M+Na-2H]-	319.02557	174.1
[M]+	298.05035	168.9
[M]-	298.05145	168.9

Literature stripe

literature stripe

Patent stripe

patents stripe