CID 789864

2-[5-(3-methoxy-phenyl)-[1,2,4]oxadiazol-3-yl]-pyridine

Structural Information

Molecular Formula
C14H11N3O2
SMILES
COC1=CC=CC(=C1)C2=NC(=NO2)C3=CC=CC=N3
InChI
InChI=1S/C14H11N3O2/c1-18-11-6-4-5-10(9-11)14-16-13(17-19-14)12-7-2-3-8-15-12/h2-9H,1H3
InChIKey
UTVLFQJTGRGDDM-UHFFFAOYSA-N
Compound name
5-(3-methoxyphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

43
Patents

253.08513 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.09241 154.7
[M+Na]+ 276.07435 164.5
[M-H]- 252.07785 161.7
[M+NH4]+ 271.11895 167.7
[M+K]+ 292.04829 161.5
[M+H-H2O]+ 236.08239 144.5
[M+HCOO]- 298.08333 176.6
[M+CH3COO]- 312.09898 167.4
[M+Na-2H]- 274.05980 161.3
[M]+ 253.08458 157.5
[M]- 253.08568 157.5
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