CID 3085836

Imidazo(4,5-d)imidazole-2,5(1h,3h)-dione, diacetyltetrahydro-

Structural Information

Molecular Formula
C4H4N4O2
SMILES
C12=C(NC(=O)N1)NC(=O)N2
InChI
InChI=1S/C4H4N4O2/c9-3-5-1-2(7-3)8-4(10)6-1/h(H2,5,7,9)(H2,6,8,10)
InChIKey
AGWIAWWOIOUIPW-UHFFFAOYSA-N
Compound name
1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.03343 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.04071 124.4
[M+Na]+ 163.02265 136.7
[M-H]- 139.02615 120.2
[M+NH4]+ 158.06725 142.8
[M+K]+ 178.99659 131.7
[M+H-H2O]+ 123.03069 118.1
[M+HCOO]- 185.03163 142.9
[M+CH3COO]- 199.04728 137.2
[M+Na-2H]- 161.00810 130.2
[M]+ 140.03288 121.3
[M]- 140.03398 121.3
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.