CID 211263

5-ethyl-2-nitroimidazole-1-acetamide

Structural Information

Molecular Formula
C7H10N4O3
SMILES
CCC1=CN=C(N1CC(=O)N)[N+](=O)[O-]
InChI
InChI=1S/C7H10N4O3/c1-2-5-3-9-7(11(13)14)10(5)4-6(8)12/h3H,2,4H2,1H3,(H2,8,12)
InChIKey
BOGTWUZVXONQNY-UHFFFAOYSA-N
Compound name
2-(5-ethyl-2-nitroimidazol-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.07529 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.082566 139.3
[M+Na]+ 221.064508 147.0
[M-H]- 197.068014 140.6
[M+NH4]+ 216.109113 156.5
[M+K]+ 237.038448 141.8
[M+H-H2O]+ 181.072550 136.7
[M+HCOO]- 243.073491 163.6
[M+CH3COO]- 257.089141 180.1
[M+Na-2H]- 219.049956 144.9
[M]+ 198.07474142 137.7
[M]- 198.07583858 137.7
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.