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]+ 232.07167 148.7
[M+Na]+ 254.05361 156.5
[M-H]- 230.05711 154.0
[M+NH4]+ 249.09821 163.6
[M+K]+ 270.02755 155.5
[M+H-H2O]+ 214.06165 140.2
[M+HCOO]- 276.06259 171.4
[M+CH3COO]- 290.07824 190.0
[M+Na-2H]- 252.03906 153.9
[M]+ 231.06384 150.3
[M]- 231.06494 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.