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]+ 195.05127 137.9
[M+Na]+ 217.03321 149.9
[M-H]- 193.03671 138.7
[M+NH4]+ 212.07781 151.2
[M+K]+ 233.00715 146.5
[M+H-H2O]+ 177.04125 129.6
[M+HCOO]- 239.04219 156.9
[M+CH3COO]- 253.05784 150.7
[M+Na-2H]- 215.01866 144.0
[M]+ 194.04344 138.2
[M]- 194.04454 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.