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

0
References

11
Patents

170.04399 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.05127 129.8
[M+Na]+ 193.03321 138.3
[M-H]- 169.03671 131.4
[M+NH4]+ 188.07781 148.0
[M+K]+ 209.00715 133.6
[M+H-H2O]+ 153.04125 127.5
[M+HCOO]- 215.04219 154.8
[M+CH3COO]- 229.05784 174.0
[M+Na-2H]- 191.01866 136.4
[M]+ 170.04344 127.5
[M]- 170.04454 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

No literature data available for this compound.

Patent stripe

patents stripe