CID 3040217

Brn 0799123

Structural Information

Molecular Formula
C11H9N3O3
SMILES
CC(=O)NC1=NC(=NO1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C11H9N3O3/c1-7(15)12-11-13-10(14-17-11)9(16)8-5-3-2-4-6-8/h2-6H,1H3,(H,12,13,14,15)
InChIKey
FETUYKYWBGFAOM-UHFFFAOYSA-N
Compound name
N-(3-benzoyl-1,2,4-oxadiazol-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.06439 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.071666 148.7
[M+Na]+ 254.053608 156.5
[M-H]- 230.057114 154.0
[M+NH4]+ 249.098213 163.6
[M+K]+ 270.027548 155.5
[M+H-H2O]+ 214.061650 140.2
[M+HCOO]- 276.062591 171.4
[M+CH3COO]- 290.078241 190.0
[M+Na-2H]- 252.039056 153.9
[M]+ 231.06384142 150.3
[M]- 231.06493858 150.3
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.