CID 589256

5-phenyl-1,3,4-oxadiazole-2-carboxamide

Structural Information

Molecular Formula
C9H7N3O2
SMILES
C1=CC=C(C=C1)C2=NN=C(O2)C(=O)N
InChI
InChI=1S/C9H7N3O2/c10-7(13)9-12-11-8(14-9)6-4-2-1-3-5-6/h1-5H,(H2,10,13)
InChIKey
UPYDLJVHFJXBAB-UHFFFAOYSA-N
Compound name
5-phenyl-1,3,4-oxadiazole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

189.05383 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.06111 138.0
[M+Na]+ 212.04305 150.4
[M+NH4]+ 207.08765 145.2
[M+K]+ 228.01699 147.7
[M-H]- 188.04655 141.6
[M+Na-2H]- 210.02850 145.3
[M]+ 189.05328 140.6
[M]- 189.05438 140.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe