CID 211788

23571-57-5

Structural Information

Molecular Formula
C7H10N4O3
SMILES
CC1=CN=C(N1CC(=O)NC)[N+](=O)[O-]
InChI
InChI=1S/C7H10N4O3/c1-5-3-9-7(11(13)14)10(5)4-6(12)8-2/h3H,4H2,1-2H3,(H,8,12)
InChIKey
IKJPTXAYTDPHML-UHFFFAOYSA-N
Compound name
N-methyl-2-(5-methyl-2-nitroimidazol-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.07529 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.082566 139.3
[M+Na]+ 221.064508 147.1
[M-H]- 197.068014 141.2
[M+NH4]+ 216.109113 156.8
[M+K]+ 237.038448 142.2
[M+H-H2O]+ 181.072550 136.7
[M+HCOO]- 243.073491 164.3
[M+CH3COO]- 257.089141 180.1
[M+Na-2H]- 219.049956 145.9
[M]+ 198.07474142 138.7
[M]- 198.07583858 138.7
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.