CID 91666063

899822-41-4

Structural Information

Molecular Formula
C6H6N4O2
SMILES
CC1=CN=C2N1C(=O)NC(=O)N2
InChI
InChI=1S/C6H6N4O2/c1-3-2-7-4-8-5(11)9-6(12)10(3)4/h2H,1H3,(H2,7,8,9,11,12)
InChIKey
HTNSGUAKEYEURZ-UHFFFAOYSA-N
Compound name
6-methyl-1H-imidazo[1,2-a][1,3,5]triazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.04907 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.05635 131.1
[M+Na]+ 189.03829 144.7
[M+NH4]+ 184.08289 137.0
[M+K]+ 205.01223 142.0
[M-H]- 165.04179 129.2
[M+Na-2H]- 187.02374 136.0
[M]+ 166.04852 132.2
[M]- 166.04962 132.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.