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

10
Patents

189.05383 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.061106 137.3
[M+Na]+ 212.043048 146.1
[M-H]- 188.046554 142.2
[M+NH4]+ 207.087653 153.9
[M+K]+ 228.016988 144.7
[M+H-H2O]+ 172.051090 129.2
[M+HCOO]- 234.052031 160.7
[M+CH3COO]- 248.067681 181.7
[M+Na-2H]- 210.028496 143.7
[M]+ 189.05328142 137.3
[M]- 189.05437858 137.3
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