CID 123682

5-(4-acetamidophenyl)pyrazin-2(1h)-one

Structural Information

Molecular Formula
C12H11N3O2
SMILES
CC(=O)NC1=CC=C(C=C1)C2=NCC(=O)N=C2
InChI
InChI=1S/C12H11N3O2/c1-8(16)15-10-4-2-9(3-5-10)11-6-14-12(17)7-13-11/h2-6H,7H2,1H3,(H,15,16)
InChIKey
VZXIAVMLJCJLPP-UHFFFAOYSA-N
Compound name
N-[4-(3-oxo-2H-pyrazin-6-yl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

38
References

60
Patents

229.08513 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.092406 149.8
[M+Na]+ 252.074348 157.5
[M-H]- 228.077854 154.1
[M+NH4]+ 247.118953 164.6
[M+K]+ 268.048288 154.2
[M+H-H2O]+ 212.082390 140.9
[M+HCOO]- 274.083331 171.6
[M+CH3COO]- 288.098981 191.5
[M+Na-2H]- 250.059796 155.9
[M]+ 229.08458142 148.6
[M]- 229.08567858 148.6
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