CID 73173

2,3-pyrazinedicarboxamide

Structural Information

Molecular Formula

C₆H₆N₄O₂

SMILES

C1=CN=C(C(=N1)C(=O)N)C(=O)N

InChI

InChI=1S/C6H6N4O2/c7-5(11)3-4(6(8)12)10-2-1-9-3/h1-2H,(H2,7,11)(H2,8,12)

InChIKey

TZMYZOQDDVSLJU-UHFFFAOYSA-N

Compound name

pyrazine-2,3-dicarboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 270
Patents: 166.04907 Da
Monoisotopic Mass: -2.0
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]+	167.056346	132.3
[M+Na]+	189.038288	140.2
[M-H]-	165.041794	132.9
[M+NH4]+	184.082893	148.8
[M+K]+	205.012228	138.7
[M+H-H2O]+	149.046330	124.8
[M+HCOO]-	211.047271	154.9
[M+CH3COO]-	225.062921	181.6
[M+Na-2H]-	187.023736	137.6
[M]+	166.04852142	129.2
[M]-	166.04961858	129.2

Literature stripe

literature stripe

Patent stripe

patents stripe