CID 470919

Oprea1_828048

Structural Information

Molecular Formula

C₁₀H₈N₄O

SMILES

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

InChI

InChI=1S/C10H8N4O/c15-10(8-7-11-5-6-12-8)14-9-3-1-2-4-13-9/h1-7H,(H,13,14,15)

InChIKey

RYROROLFVAABQP-UHFFFAOYSA-N

Compound name

N-pyridin-2-ylpyrazine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 200.06981 Da
Monoisotopic Mass: 0.2
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]+	201.07709	141.5
[M+Na]+	223.05903	149.1
[M-H]-	199.06253	144.2
[M+NH4]+	218.10363	155.6
[M+K]+	239.03297	145.7
[M+H-H2O]+	183.06707	131.8
[M+HCOO]-	245.06801	163.7
[M+CH3COO]-	259.08366	153.5
[M+Na-2H]-	221.04448	151.4
[M]+	200.06926	140.0
[M]-	200.07036	140.0

Literature stripe

literature stripe

Patent stripe

patents stripe