CID 222241

1-methyl-4-nitro-1h-imidazole-5-carboxamide

Structural Information

Molecular Formula
C5H6N4O3
SMILES
CN1C=NC(=C1C(=O)N)[N+](=O)[O-]
InChI
InChI=1S/C5H6N4O3/c1-8-2-7-5(9(11)12)3(8)4(6)10/h2H,1H3,(H2,6,10)
InChIKey
QUARTNVPDGQVMK-UHFFFAOYSA-N
Compound name
3-methyl-5-nitroimidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

170.04399 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.051266 129.8
[M+Na]+ 193.033208 138.3
[M-H]- 169.036714 131.4
[M+NH4]+ 188.077813 148.0
[M+K]+ 209.007148 133.6
[M+H-H2O]+ 153.041250 127.5
[M+HCOO]- 215.042191 154.8
[M+CH3COO]- 229.057841 174.0
[M+Na-2H]- 191.018656 136.4
[M]+ 170.04344142 127.5
[M]- 170.04453858 127.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe