CID 516614

121845-64-5

Structural Information

Molecular Formula

C₁₆H₁₀N₄

SMILES

C1=CC=C2C=C(C=CC2=C1)C3=NC4=C(C=CN=C4)N=N3

InChI

InChI=1S/C16H10N4/c1-2-4-12-9-13(6-5-11(12)3-1)16-18-15-10-17-8-7-14(15)19-20-16/h1-10H

InChIKey

XNJVTIPYRKIRNL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 258.09055 Da
Monoisotopic Mass: 2.5
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]+	259.09783	159.4
[M+Na]+	281.07977	170.8
[M-H]-	257.08327	162.7
[M+NH4]+	276.12437	172.2
[M+K]+	297.05371	163.1
[M+H-H2O]+	241.08781	147.8
[M+HCOO]-	303.08875	178.1
[M+CH3COO]-	317.10440	170.7
[M+Na-2H]-	279.06522	172.0
[M]+	258.09000	160.3
[M]-	258.09110	160.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.