CID 478017

5-(4-chlorobenzoyl)pyrazine-2-carboxamide

Structural Information

Molecular Formula
C12H8ClN3O2
SMILES
C1=CC(=CC=C1C(=O)C2=CN=C(C=N2)C(=O)N)Cl
InChI
InChI=1S/C12H8ClN3O2/c13-8-3-1-7(2-4-8)11(17)9-5-16-10(6-15-9)12(14)18/h1-6H,(H2,14,18)
InChIKey
JGVLOPBKERYSHU-UHFFFAOYSA-N
Compound name
5-(4-chlorobenzoyl)pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

261.03052 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.03780 154.0
[M+Na]+ 284.01974 163.1
[M-H]- 260.02324 158.0
[M+NH4]+ 279.06434 168.0
[M+K]+ 299.99368 158.1
[M+H-H2O]+ 244.02778 145.9
[M+HCOO]- 306.02872 171.1
[M+CH3COO]- 320.04437 195.9
[M+Na-2H]- 282.00519 158.6
[M]+ 261.02997 154.9
[M]- 261.03107 154.9
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.