CID 458040

6133-44-4

Structural Information

Molecular Formula

C₆H₄N₄

SMILES

C1=CC2=C(N=C1)N=NC=N2

InChI

InChI=1S/C6H4N4/c1-2-5-6(7-3-1)10-9-4-8-5/h1-4H

InChIKey

GUODQFHMIYUCLH-UHFFFAOYSA-N

Compound name

pyrido[3,2-e][1,2,4]triazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 103
Patents: 132.0436 Da
Monoisotopic Mass: -0.1
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]+	133.05088	123.7
[M+Na]+	155.03282	134.1
[M-H]-	131.03632	122.8
[M+NH4]+	150.07742	141.0
[M+K]+	171.00676	131.1
[M+H-H2O]+	115.04086	114.9
[M+HCOO]-	177.04180	143.7
[M+CH3COO]-	191.05745	137.0
[M+Na-2H]-	153.01827	136.9
[M]+	132.04305	123.3
[M]-	132.04415	123.3

Literature stripe

literature stripe

Patent stripe

patents stripe