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]+ 197.10330 142.6
[M+Na]+ 219.08524 150.4
[M-H]- 195.08874 143.8
[M+NH4]+ 214.12984 160.4
[M+K]+ 235.05918 149.2
[M+H-H2O]+ 179.09328 135.1
[M+HCOO]- 241.09422 165.9
[M+CH3COO]- 255.10987 188.7
[M+Na-2H]- 217.07069 144.9
[M]+ 196.09547 142.2
[M]- 196.09657 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.