CID 404293

Nsc720474

Structural Information

Molecular Formula

C₁₆H₁₃N₃O₃

SMILES

CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C16H13N3O3/c1-11-15(16(20)17-12-7-3-2-4-8-12)19(22)14-10-6-5-9-13(14)18(11)21/h2-10H,1H3,(H,17,20)

InChIKey

DOSQDTCAKLTKPO-UHFFFAOYSA-N

Compound name

3-methyl-4-oxido-1-oxo-N-phenylquinoxalin-1-ium-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2
Patents: 295.0957 Da
Monoisotopic Mass: 1.4
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]+	296.10298	165.8
[M+Na]+	318.08492	174.2
[M-H]-	294.08842	170.1
[M+NH4]+	313.12952	177.8
[M+K]+	334.05886	164.3
[M+H-H2O]+	278.09296	160.8
[M+HCOO]-	340.09390	186.2
[M+CH3COO]-	354.10955	195.3
[M+Na-2H]-	316.07037	174.2
[M]+	295.09515	164.2
[M]-	295.09625	164.2

Literature stripe

literature stripe

Patent stripe

patents stripe