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]+ 228.07675 148.6
[M+Na]+ 250.05869 156.1
[M-H]- 226.06219 152.5
[M+NH4]+ 245.10329 162.8
[M+K]+ 266.03263 152.7
[M+H-H2O]+ 210.06673 139.7
[M+HCOO]- 272.06767 170.3
[M+CH3COO]- 286.08332 191.0
[M+Na-2H]- 248.04414 154.3
[M]+ 227.06892 146.9
[M]- 227.07002 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.