CID 3056167

1,3,4-oxadiazol-2(3h)-one, 5-(1,3-benzodioxol-5-yl)-3-(((4-fluorophenyl)amino)methyl)-

Structural Information

Molecular Formula
C16H12FN3O4
SMILES
C1OC2=C(O1)C=C(C=C2)C3=NN(C(=O)O3)CNC4=CC=C(C=C4)F
InChI
InChI=1S/C16H12FN3O4/c17-11-2-4-12(5-3-11)18-8-20-16(21)24-15(19-20)10-1-6-13-14(7-10)23-9-22-13/h1-7,18H,8-9H2
InChIKey
PPIZDCHOWHPXSG-UHFFFAOYSA-N
Compound name
5-(1,3-benzodioxol-5-yl)-3-[(4-fluoroanilino)methyl]-1,3,4-oxadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.08118 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.08846 173.8
[M+Na]+ 352.07040 187.3
[M+NH4]+ 347.11500 179.9
[M+K]+ 368.04434 185.8
[M-H]- 328.07390 180.7
[M+Na-2H]- 350.05585 179.0
[M]+ 329.08063 177.6
[M]- 329.08173 177.6
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.