CID 100642564

2-{5-[5-(pyridin-3-yl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl}pyrazine

Structural Information

Molecular Formula
C14H8N6O2
SMILES
C1=CC(=CN=C1)C2=CC(=NO2)C3=NC(=NO3)C4=NC=CN=C4
InChI
InChI=1S/C14H8N6O2/c1-2-9(7-15-3-1)12-6-10(19-21-12)14-18-13(20-22-14)11-8-16-4-5-17-11/h1-8H
InChIKey
GWOIRSHVPYNOFF-UHFFFAOYSA-N
Compound name
3-pyrazin-2-yl-5-(5-pyridin-3-yl-1,2-oxazol-3-yl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.07086 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.07814 160.8
[M+Na]+ 315.06008 172.7
[M-H]- 291.06358 168.5
[M+NH4]+ 310.10468 168.0
[M+K]+ 331.03402 169.2
[M+H-H2O]+ 275.06812 149.1
[M+HCOO]- 337.06906 180.5
[M+CH3COO]- 351.08471 172.7
[M+Na-2H]- 313.04553 166.3
[M]+ 292.07031 164.9
[M]- 292.07141 164.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.