CID 65745

1h-imidazole-4,5-dicarboxamide

Structural Information

Molecular Formula
C5H6N4O2
SMILES
C1=NC(=C(N1)C(=O)N)C(=O)N
InChI
InChI=1S/C5H6N4O2/c6-4(10)2-3(5(7)11)9-1-8-2/h1H,(H2,6,10)(H2,7,11)(H,8,9)
InChIKey
NNWAARLSYSBVPB-UHFFFAOYSA-N
Compound name
1H-imidazole-4,5-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

717
Patents

154.04907 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.056346 129.5
[M+Na]+ 177.038288 137.1
[M-H]- 153.041794 128.9
[M+NH4]+ 172.082893 147.6
[M+K]+ 193.012228 135.4
[M+H-H2O]+ 137.046330 122.4
[M+HCOO]- 199.047271 151.6
[M+CH3COO]- 213.062921 176.2
[M+Na-2H]- 175.023736 132.5
[M]+ 154.04852142 124.8
[M]- 154.04961858 124.8
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

patents stripe