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]+ 229.072006 148.8
[M+Na]+ 251.053948 158.1
[M-H]- 227.057454 151.6
[M+NH4]+ 246.098553 161.7
[M+K]+ 267.027888 155.4
[M+H-H2O]+ 211.061990 132.7
[M+HCOO]- 273.062931 167.8
[M+CH3COO]- 287.078581 200.4
[M+Na-2H]- 249.039396 154.1
[M]+ 228.06418142 144.4
[M]- 228.06527858 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.