CID 15956940

5-(3-methoxyphenyl)-3-[3-(trifluoromethyl)-2-pyridyl]-1,2,4-oxadiazole

Structural Information

Molecular Formula
C15H10F3N3O2
SMILES
COC1=CC=CC(=C1)C2=NC(=NO2)C3=C(C=CC=N3)C(F)(F)F
InChI
InChI=1S/C15H10F3N3O2/c1-22-10-5-2-4-9(8-10)14-20-13(21-23-14)12-11(15(16,17)18)6-3-7-19-12/h2-8H,1H3
InChIKey
OGMLNDWKCOTMKJ-UHFFFAOYSA-N
Compound name
5-(3-methoxyphenyl)-3-[3-(trifluoromethyl)pyridin-2-yl]-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

321.0725 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.07978 169.3
[M+Na]+ 344.06172 180.2
[M-H]- 320.06522 172.9
[M+NH4]+ 339.10632 179.8
[M+K]+ 360.03566 175.9
[M+H-H2O]+ 304.06976 156.9
[M+HCOO]- 366.07070 186.0
[M+CH3COO]- 380.08635 180.3
[M+Na-2H]- 342.04717 173.6
[M]+ 321.07195 169.2
[M]- 321.07305 169.2
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

patents stripe