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]+ 235.09514 150.4
[M+Na]+ 257.07708 158.6
[M-H]- 233.08058 154.3
[M+NH4]+ 252.12168 164.2
[M+K]+ 273.05102 150.3
[M+H-H2O]+ 217.08512 144.9
[M+HCOO]- 279.08606 171.5
[M+CH3COO]- 293.10171 180.7
[M+Na-2H]- 255.06253 157.1
[M]+ 234.08731 148.9
[M]- 234.08841 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.