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

28
Patents

204.94868 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.95596 124.9
[M+Na]+ 227.93790 140.1
[M-H]- 203.94140 127.3
[M+NH4]+ 222.98250 143.7
[M+K]+ 243.91184 128.8
[M+H-H2O]+ 187.94594 124.5
[M+HCOO]- 249.94688 144.2
[M+CH3COO]- 263.96253 178.7
[M+Na-2H]- 225.92335 134.4
[M]+ 204.94813 143.9
[M]- 204.94923 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