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

10
Patents

224.06981 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.07709 147.0
[M+Na]+ 247.05903 163.7
[M+NH4]+ 242.10363 154.7
[M+K]+ 263.03297 158.4
[M-H]- 223.06253 152.4
[M+Na-2H]- 245.04448 158.4
[M]+ 224.06926 151.0
[M]- 224.07036 151.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe