CID 488283

2-[4-(4,5-dihydro-1,2,4-oxadiazol-5-yl)phenyl]-2,2-difluoro-1-(3-pyridyl)ethanol

Structural Information

Molecular Formula
C15H13F2N3O2
SMILES
C1=CC(=CN=C1)C(C(C2=CC=C(C=C2)C3N=CNO3)(F)F)O
InChI
InChI=1S/C15H13F2N3O2/c16-15(17,13(21)11-2-1-7-18-8-11)12-5-3-10(4-6-12)14-19-9-20-22-14/h1-9,13-14,21H,(H,19,20)
InChIKey
ZJQXYBUNPURIRE-UHFFFAOYSA-N
Compound name
2-[4-(2,5-dihydro-1,2,4-oxadiazol-5-yl)phenyl]-2,2-difluoro-1-pyridin-3-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.0976 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.10488 165.9
[M+Na]+ 328.08682 172.4
[M-H]- 304.09032 167.1
[M+NH4]+ 323.13142 174.8
[M+K]+ 344.06076 167.8
[M+H-H2O]+ 288.09486 154.7
[M+HCOO]- 350.09580 178.3
[M+CH3COO]- 364.11145 174.8
[M+Na-2H]- 326.07227 169.6
[M]+ 305.09705 160.5
[M]- 305.09815 160.5
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.