CID 137217215

1207380-97-9

Structural Information

Molecular Formula
C7H6N4O3
SMILES
CC1=NC(=NO1)C2=CNC(=O)NC2=O
InChI
InChI=1S/C7H6N4O3/c1-3-9-5(11-14-3)4-2-8-7(13)10-6(4)12/h2H,1H3,(H2,8,10,12,13)
InChIKey
DOPZJDIHXCCCEM-UHFFFAOYSA-N
Compound name
5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.04399 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.051266 137.9
[M+Na]+ 217.033208 149.9
[M-H]- 193.036714 138.7
[M+NH4]+ 212.077813 151.2
[M+K]+ 233.007148 146.5
[M+H-H2O]+ 177.041250 129.6
[M+HCOO]- 239.042191 156.9
[M+CH3COO]- 253.057841 150.7
[M+Na-2H]- 215.018656 144.0
[M]+ 194.04344142 138.2
[M]- 194.04453858 138.2
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.