CID 3056349

2-cyano-n-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide

Structural Information

Molecular Formula
C11H8N4O2
SMILES
C1=CC=C(C=C1)C2=NN=C(O2)NC(=O)CC#N
InChI
InChI=1S/C11H8N4O2/c12-7-6-9(16)13-11-15-14-10(17-11)8-4-2-1-3-5-8/h1-5H,6H2,(H,13,15,16)
InChIKey
PEMQDLGDIUQOAX-UHFFFAOYSA-N
Compound name
2-cyano-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.06473 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.07201 148.8
[M+Na]+ 251.05395 158.1
[M-H]- 227.05745 151.6
[M+NH4]+ 246.09855 161.7
[M+K]+ 267.02789 155.4
[M+H-H2O]+ 211.06199 132.7
[M+HCOO]- 273.06293 167.8
[M+CH3COO]- 287.07858 200.4
[M+Na-2H]- 249.03940 154.1
[M]+ 228.06418 144.4
[M]- 228.06528 144.4
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.