CID 84483

3-benzylsydnone-4-acetamide

Structural Information

Molecular Formula
C11H12N3O3
SMILES
C1=CC=C(C=C1)C[N+]2=C(C(=O)ON2)CC(=O)N
InChI
InChI=1S/C11H11N3O3/c12-10(15)6-9-11(16)17-13-14(9)7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2-,12,13,15,16)/p+1
InChIKey
GPEINOHASDVYFS-UHFFFAOYSA-O
Compound name
2-(3-benzyl-5-oxo-2H-oxadiazol-3-ium-4-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

234.08786 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.095136 150.4
[M+Na]+ 257.077078 158.6
[M-H]- 233.080584 154.3
[M+NH4]+ 252.121683 164.2
[M+K]+ 273.051018 150.3
[M+H-H2O]+ 217.085120 144.9
[M+HCOO]- 279.086061 171.5
[M+CH3COO]- 293.101711 180.7
[M+Na-2H]- 255.062526 157.1
[M]+ 234.08731142 148.9
[M]- 234.08840858 148.9
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.