CID 470911

N-(4-chlorophenyl)pyrazine-2-carboxamide

Structural Information

Molecular Formula
C11H8ClN3O
SMILES
C1=CC(=CC=C1NC(=O)C2=NC=CN=C2)Cl
InChI
InChI=1S/C11H8ClN3O/c12-8-1-3-9(4-2-8)15-11(16)10-7-13-5-6-14-10/h1-7H,(H,15,16)
InChIKey
NIFBGRRVIPYJOA-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

233.03558 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.04286 147.5
[M+Na]+ 256.02480 156.2
[M-H]- 232.02830 151.5
[M+NH4]+ 251.06940 162.8
[M+K]+ 271.99874 151.2
[M+H-H2O]+ 216.03284 139.1
[M+HCOO]- 278.03378 166.0
[M+CH3COO]- 292.04943 159.7
[M+Na-2H]- 254.01025 155.4
[M]+ 233.03503 148.3
[M]- 233.03613 148.3
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.