CID 516619

121845-68-9

Structural Information

Molecular Formula

C₁₄H₈N₆

SMILES

C1=CC=C2C(=C1)N=CC(=N2)C3=NC4=C(C=CN=C4)N=N3

InChI

InChI=1S/C14H8N6/c1-2-4-10-9(3-1)16-8-13(17-10)14-18-12-7-15-6-5-11(12)19-20-14/h1-8H

InChIKey

TYZZOUDXSBGMDE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 260.08105 Da
Monoisotopic Mass: 0.5
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]+	261.08833	161.6
[M+Na]+	283.07027	173.9
[M-H]-	259.07377	162.4
[M+NH4]+	278.11487	171.4
[M+K]+	299.04421	165.7
[M+H-H2O]+	243.07831	149.0
[M+HCOO]-	305.07925	177.9
[M+CH3COO]-	319.09490	172.0
[M+Na-2H]-	281.05572	175.0
[M]+	260.08050	162.6
[M]-	260.08160	162.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.