CID 853396

56352-92-2

Structural Information

Molecular Formula
C14H11N3O
SMILES
CC1=CC=C(C=C1)C2=NN=C(O2)C3=CN=CC=C3
InChI
InChI=1S/C14H11N3O/c1-10-4-6-11(7-5-10)13-16-17-14(18-13)12-3-2-8-15-9-12/h2-9H,1H3
InChIKey
WYYYIYXYBQGPMC-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

23
Patents

237.09021 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.09749 152.0
[M+Na]+ 260.07943 168.9
[M+NH4]+ 255.12403 160.3
[M+K]+ 276.05337 163.1
[M-H]- 236.08293 158.4
[M+Na-2H]- 258.06488 163.2
[M]+ 237.08966 156.4
[M]- 237.09076 156.4
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