CID 304359

10554-49-1

Structural Information

Molecular Formula

C₁₂H₈N₄O

SMILES

C1=CC=NC(=C1)C(=O)C2=C3C=CC=CN3N=N2

InChI

InChI=1S/C12H8N4O/c17-12(9-5-1-3-7-13-9)11-10-6-2-4-8-16(10)15-14-11/h1-8H

InChIKey

QKGQBNBVZVLUKT-UHFFFAOYSA-N

Compound name

pyridin-2-yl(triazolo[1,5-a]pyridin-3-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 224.06981 Da
Monoisotopic Mass: 1.5
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]+	225.07709	147.0
[M+Na]+	247.05903	157.8
[M-H]-	223.06253	150.0
[M+NH4]+	242.10363	162.1
[M+K]+	263.03297	153.1
[M+H-H2O]+	207.06707	137.0
[M+HCOO]-	269.06801	168.0
[M+CH3COO]-	283.08366	159.6
[M+Na-2H]-	245.04448	155.4
[M]+	224.06926	148.8
[M]-	224.07036	148.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.