CID 130883

Desmethyletimizol

Structural Information

Molecular Formula

C₈H₁₂N₄O₂

SMILES

CCN1C=NC(=C1C(=O)NC)C(=O)N

InChI

InChI=1S/C8H12N4O2/c1-3-12-4-11-5(7(9)13)6(12)8(14)10-2/h4H,3H2,1-2H3,(H2,9,13)(H,10,14)

InChIKey

HMGGQLSRJXFGRN-UHFFFAOYSA-N

Compound name

1-ethyl-5-N-methylimidazole-4,5-dicarboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 196.09602 Da
Monoisotopic Mass: -0.9
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]+	197.10330	143.0
[M+Na]+	219.08524	150.9
[M+NH4]+	214.12984	148.1
[M+K]+	235.05918	149.9
[M-H]-	195.08874	142.1
[M+Na-2H]-	217.07069	145.7
[M]+	196.09547	143.2
[M]-	196.09657	143.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.