CID 516618

121845-67-8

Structural Information

Molecular Formula

C₁₀H₆N₆

SMILES

C1=CN=CC2=C1N=NC(=N2)C3=NC=CN=C3

InChI

InChI=1S/C10H6N6/c1-2-11-5-8-7(1)15-16-10(14-8)9-6-12-3-4-13-9/h1-6H

InChIKey

QUVLRVYXZDLTJR-UHFFFAOYSA-N

Compound name

3-pyrazin-2-ylpyrido[3,4-e][1,2,4]triazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 210.0654 Da
Monoisotopic Mass: -0.9
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]+	211.07268	147.6
[M+Na]+	233.05462	158.5
[M-H]-	209.05812	147.1
[M+NH4]+	228.09922	158.4
[M+K]+	249.02856	152.5
[M+H-H2O]+	193.06266	135.9
[M+HCOO]-	255.06360	164.4
[M+CH3COO]-	269.07925	158.5
[M+Na-2H]-	231.04007	160.1
[M]+	210.06485	147.0
[M]-	210.06595	147.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.