CID 279887

Pyrazinecarboxanilide

Structural Information

Molecular Formula

C₁₁H₉N₃O

SMILES

C1=CC=C(C=C1)NC(=O)C2=NC=CN=C2

InChI

InChI=1S/C11H9N3O/c15-11(10-8-12-6-7-13-10)14-9-4-2-1-3-5-9/h1-8H,(H,14,15)

InChIKey

FKZLFTHRKZKLMH-UHFFFAOYSA-N

Compound name

N-phenylpyrazine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 199.07455 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	200.08183	141.4
[M+Na]+	222.06377	148.6
[M-H]-	198.06727	145.4
[M+NH4]+	217.10837	157.0
[M+K]+	238.03771	145.2
[M+H-H2O]+	182.07181	132.5
[M+HCOO]-	244.07275	164.7
[M+CH3COO]-	258.08840	184.6
[M+Na-2H]-	220.04922	150.7
[M]+	199.07400	139.8
[M]-	199.07510	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe