CID 123682

Sk&f 94120

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

33
Patents

229.08513 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.09241 149.8
[M+Na]+ 252.07435 157.5
[M-H]- 228.07785 154.1
[M+NH4]+ 247.11895 164.6
[M+K]+ 268.04829 154.2
[M+H-H2O]+ 212.08239 140.9
[M+HCOO]- 274.08333 171.6
[M+CH3COO]- 288.09898 191.5
[M+Na-2H]- 250.05980 155.9
[M]+ 229.08458 148.6
[M]- 229.08568 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