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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.103296 142.6
[M+Na]+ 219.085238 150.4
[M-H]- 195.088744 143.8
[M+NH4]+ 214.129843 160.4
[M+K]+ 235.059178 149.2
[M+H-H2O]+ 179.093280 135.1
[M+HCOO]- 241.094221 165.9
[M+CH3COO]- 255.109871 188.7
[M+Na-2H]- 217.070686 144.9
[M]+ 196.09547142 142.2
[M]- 196.09656858 142.2
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

No patent data available for this compound.