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 139.2
[M+Na]+ 221.06451 148.9
[M+NH4]+ 216.10911 144.8
[M+K]+ 237.03845 150.0
[M-H]- 197.06801 139.6
[M+Na-2H]- 219.04996 142.3
[M]+ 198.07474 140.1
[M]- 198.07584 140.1
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.