CID 21889397

Dtxsid501036403

Structural Information

Molecular Formula

C₉H₉N₃O₃

SMILES

COC1=CC2=C(C=C1N)NC(=O)C(=O)N2

InChI

InChI=1S/C9H9N3O3/c1-15-7-3-6-5(2-4(7)10)11-8(13)9(14)12-6/h2-3H,10H2,1H3,(H,11,13)(H,12,14)

InChIKey

PGSBORVKPRJNHJ-UHFFFAOYSA-N

Compound name

6-amino-7-methoxy-1,4-dihydroquinoxaline-2,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 48
Patents: 207.06439 Da
Monoisotopic Mass: -0.3
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]+	208.071666	141.3
[M+Na]+	230.053608	152.6
[M-H]-	206.057114	141.4
[M+NH4]+	225.098213	157.4
[M+K]+	246.027548	147.8
[M+H-H2O]+	190.061650	134.5
[M+HCOO]-	252.062591	161.4
[M+CH3COO]-	266.078241	183.3
[M+Na-2H]-	228.039056	148.3
[M]+	207.06384142	140.2
[M]-	207.06493858	140.2

Literature stripe

literature stripe

Patent stripe

patents stripe