CID 98904

1671-89-2

Structural Information

Molecular Formula
C12H8N4O
SMILES
C1=CC=NC(=C1)C2=NN=C(O2)C3=CC=CC=N3
InChI
InChI=1S/C12H8N4O/c1-3-7-13-9(5-1)11-15-16-12(17-11)10-6-2-4-8-14-10/h1-8H
InChIKey
WEUZDURAHKERCC-UHFFFAOYSA-N
Compound name
2,5-dipyridin-2-yl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

224.06981 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.077086 146.7
[M+Na]+ 247.059028 156.6
[M-H]- 223.062534 152.1
[M+NH4]+ 242.103633 159.2
[M+K]+ 263.032968 153.1
[M+H-H2O]+ 207.067070 136.0
[M+HCOO]- 269.068011 167.6
[M+CH3COO]- 283.083661 159.3
[M+Na-2H]- 245.044476 154.9
[M]+ 224.06926142 147.5
[M]- 224.07035858 147.5
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