CID 34151

Diacetyldiurein

Structural Information

Molecular Formula
C6H10N4O2
SMILES
CC12C(NC(=O)N1)(NC(=O)N2)C
InChI
InChI=1S/C6H10N4O2/c1-5-6(2,9-3(11)7-5)10-4(12)8-5/h1-2H3,(H2,7,9,11)(H2,8,10,12)
InChIKey
HTMUAOILEIFUNM-UHFFFAOYSA-N
Compound name
3a,6a-dimethyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

117
Patents

170.08037 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.087646 138.0
[M+Na]+ 193.069588 147.4
[M-H]- 169.073094 132.6
[M+NH4]+ 188.114193 158.7
[M+K]+ 209.043528 143.2
[M+H-H2O]+ 153.077630 132.8
[M+HCOO]- 215.078571 150.2
[M+CH3COO]- 229.094221 148.6
[M+Na-2H]- 191.055036 141.4
[M]+ 170.07982142 130.8
[M]- 170.08091858 130.8
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