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]+ 199.08257 139.3
[M+Na]+ 221.06451 147.0
[M-H]- 197.06801 140.6
[M+NH4]+ 216.10911 156.5
[M+K]+ 237.03845 141.8
[M+H-H2O]+ 181.07255 136.7
[M+HCOO]- 243.07349 163.6
[M+CH3COO]- 257.08914 180.1
[M+Na-2H]- 219.04996 144.9
[M]+ 198.07474 137.7
[M]- 198.07584 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.