CID 535784

1,3-dimethyltetrahydroimidazo[4,5-d]imidazole-2,5(1h,3h)-dione

Structural Information

Molecular Formula
C6H10N4O2
SMILES
CN1C2C(NC(=O)N2)N(C1=O)C
InChI
InChI=1S/C6H10N4O2/c1-9-3-4(8-5(11)7-3)10(2)6(9)12/h3-4H,1-2H3,(H2,7,8,11)
InChIKey
NVMPHBRFTZFQPS-UHFFFAOYSA-N
Compound name
4,6-dimethyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
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 139.0
[M+Na]+ 193.069588 149.0
[M-H]- 169.073094 136.2
[M+NH4]+ 188.114193 157.7
[M+K]+ 209.043528 146.0
[M+H-H2O]+ 153.077630 132.4
[M+HCOO]- 215.078571 153.9
[M+CH3COO]- 229.094221 174.7
[M+Na-2H]- 191.055036 139.2
[M]+ 170.07982142 135.2
[M]- 170.08091858 135.2
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

patents stripe