CID 260564

6-bromo-4-methyl-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione

Structural Information

Molecular Formula
C4H4BrN3O2
SMILES
CN1C(=O)C(=NNC1=O)Br
InChI
InChI=1S/C4H4BrN3O2/c1-8-3(9)2(5)6-7-4(8)10/h1H3,(H,7,10)
InChIKey
YRHJXSGTGUSTPU-UHFFFAOYSA-N
Compound name
6-bromo-4-methyl-2H-1,2,4-triazine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

204.94868 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.955956 124.9
[M+Na]+ 227.937898 140.1
[M-H]- 203.941404 127.3
[M+NH4]+ 222.982503 143.7
[M+K]+ 243.911838 128.8
[M+H-H2O]+ 187.945940 124.5
[M+HCOO]- 249.946881 144.2
[M+CH3COO]- 263.962531 178.7
[M+Na-2H]- 225.923346 134.4
[M]+ 204.94813142 143.9
[M]- 204.94922858 143.9
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

patents stripe