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: 10
Patents: 170.04399 Da
Monoisotopic Mass: -0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	171.05127	130.3
[M+Na]+	193.03321	140.5
[M+NH4]+	188.07781	136.3
[M+K]+	209.00715	142.1
[M-H]-	169.03671	130.8
[M+Na-2H]-	191.01866	134.0
[M]+	170.04344	131.3
[M]-	170.04454	131.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe