CID 470912

N-(3-chlorophenyl)pyrazine-2-carboxamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

9
References

1
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

literature stripe

Patent stripe

patents stripe