CID 63710163

2-{5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl}pyridine dihydrochloride

Structural Information

Molecular Formula
C12H11F3N4O
SMILES
C1CNCC1(C2=NC(=NO2)C3=CC=CC=N3)C(F)(F)F
InChI
InChI=1S/C12H11F3N4O/c13-12(14,15)11(4-6-16-7-11)10-18-9(19-20-10)8-3-1-2-5-17-8/h1-3,5,16H,4,6-7H2
InChIKey
OFKVXWJVHOBEGA-UHFFFAOYSA-N
Compound name
3-pyridin-2-yl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.0885 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.09578 160.8
[M+Na]+ 307.07772 169.1
[M+NH4]+ 302.12232 166.0
[M+K]+ 323.05166 166.9
[M-H]- 283.08122 158.9
[M+Na-2H]- 305.06317 166.5
[M]+ 284.08795 161.2
[M]- 284.08905 161.2
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

No patent data available for this compound.