CID 3068789

83805-44-1

Structural Information

Molecular Formula
C11H9N3O4
SMILES
CC(=O)NC1=NN=C(O1)C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C11H9N3O4/c1-6(15)12-11-14-13-10(18-11)7-2-3-8-9(4-7)17-5-16-8/h2-4H,5H2,1H3,(H,12,14,15)
InChIKey
ABEDTIBSDLMYFY-UHFFFAOYSA-N
Compound name
N-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

247.05931 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.06659 151.2
[M+Na]+ 270.04853 162.8
[M+NH4]+ 265.09313 157.8
[M+K]+ 286.02247 163.4
[M-H]- 246.05203 156.7
[M+Na-2H]- 268.03398 154.9
[M]+ 247.05876 154.2
[M]- 247.05986 154.2
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

No patent data available for this compound.