CID 853396

2-(3-pyridyl)-5-(4-tolyl)-1,3,4-oxadiazole

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

28
Patents

237.09021 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.097486 151.7
[M+Na]+ 260.079428 161.7
[M-H]- 236.082934 158.7
[M+NH4]+ 255.124033 165.5
[M+K]+ 276.053368 158.1
[M+H-H2O]+ 220.087470 141.7
[M+HCOO]- 282.088411 173.4
[M+CH3COO]- 296.104061 164.6
[M+Na-2H]- 258.064876 158.3
[M]+ 237.08966142 153.2
[M]- 237.09075858 153.2
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