CID 513253

Schembl753812

Structural Information

Molecular Formula
C15H12FN3O3
SMILES
CN1C=CC(=C(C1=O)O)C2=NN=C(O2)CC3=CC=C(C=C3)F
InChI
InChI=1S/C15H12FN3O3/c1-19-7-6-11(13(20)15(19)21)14-18-17-12(22-14)8-9-2-4-10(16)5-3-9/h2-7,20H,8H2,1H3
InChIKey
ZBKBUHDISABSLB-UHFFFAOYSA-N
Compound name
4-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-hydroxy-1-methylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

301.08627 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.09355 166.5
[M+Na]+ 324.07549 178.3
[M-H]- 300.07899 172.0
[M+NH4]+ 319.12009 177.6
[M+K]+ 340.04943 173.7
[M+H-H2O]+ 284.08353 156.1
[M+HCOO]- 346.08447 185.8
[M+CH3COO]- 360.10012 178.4
[M+Na-2H]- 322.06094 169.3
[M]+ 301.08572 168.9
[M]- 301.08682 168.9
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.