CID 699787

15420-02-7

Structural Information

Molecular Formula

C₁₂H₈N₄O

SMILES

C1=CN=CC=C1C2=NN=C(O2)C3=CC=NC=C3

InChI

InChI=1S/C12H8N4O/c1-5-13-6-2-9(1)11-15-16-12(17-11)10-3-7-14-8-4-10/h1-8H

InChIKey

FFGFSQOCKQVECP-UHFFFAOYSA-N

Compound name

2,5-dipyridin-4-yl-1,3,4-oxadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 23
References: 13
Patents: 224.06981 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]+	225.07709	146.7
[M+Na]+	247.05903	156.6
[M-H]-	223.06253	152.1
[M+NH4]+	242.10363	159.2
[M+K]+	263.03297	153.1
[M+H-H2O]+	207.06707	136.0
[M+HCOO]-	269.06801	167.6
[M+CH3COO]-	283.08366	159.3
[M+Na-2H]-	245.04448	154.9
[M]+	224.06926	147.5
[M]-	224.07036	147.5

Literature stripe

literature stripe

Patent stripe

patents stripe