CID 478009

Pyrazinecarboxamide, 5-benzoyl-

Structural Information

Molecular Formula
C12H9N3O2
SMILES
C1=CC=C(C=C1)C(=O)C2=CN=C(C=N2)C(=O)N
InChI
InChI=1S/C12H9N3O2/c13-12(17)10-7-14-9(6-15-10)11(16)8-4-2-1-3-5-8/h1-7H,(H2,13,17)
InChIKey
WGSQHABKGRTJLW-UHFFFAOYSA-N
Compound name
5-benzoylpyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

227.06947 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.076746 148.6
[M+Na]+ 250.058688 156.1
[M-H]- 226.062194 152.5
[M+NH4]+ 245.103293 162.8
[M+K]+ 266.032628 152.7
[M+H-H2O]+ 210.066730 139.7
[M+HCOO]- 272.067671 170.3
[M+CH3COO]- 286.083321 191.0
[M+Na-2H]- 248.044136 154.3
[M]+ 227.06892142 146.9
[M]- 227.07001858 146.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.