CID 101504

3691-03-0

Structural Information

Molecular Formula
C7H10N4O2
SMILES
CNC(=O)C1=C(N=CN1)C(=O)NC
InChI
InChI=1S/C7H10N4O2/c1-8-6(12)4-5(7(13)9-2)11-3-10-4/h3H,1-2H3,(H,8,12)(H,9,13)(H,10,11)
InChIKey
FDMDLNWXKUUKOU-UHFFFAOYSA-N
Compound name
4-N,5-N-dimethyl-1H-imidazole-4,5-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

7
Patents

182.08037 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.087646 138.7
[M+Na]+ 205.069588 145.6
[M-H]- 181.073094 138.8
[M+NH4]+ 200.114193 156.3
[M+K]+ 221.043528 144.1
[M+H-H2O]+ 165.077630 131.2
[M+HCOO]- 227.078571 161.4
[M+CH3COO]- 241.094221 182.0
[M+Na-2H]- 203.055036 142.7
[M]+ 182.07982142 136.5
[M]- 182.08091858 136.5
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