CID 151240

5-bromo-6-azauracil

Structural Information

Molecular Formula
C3H2BrN3O2
SMILES
C1(=O)C(=NNC(=O)N1)Br
InChI
InChI=1S/C3H2BrN3O2/c4-1-2(8)5-3(9)7-6-1/h(H2,5,7,8,9)
InChIKey
VNTFEWXYAOATFA-UHFFFAOYSA-N
Compound name
6-bromo-2H-1,2,4-triazine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

215
Patents

190.93304 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.94032 122.0
[M+Na]+ 213.92226 136.3
[M-H]- 189.92576 122.9
[M+NH4]+ 208.96686 140.3
[M+K]+ 229.89620 124.3
[M+H-H2O]+ 173.93030 121.7
[M+HCOO]- 235.93124 140.2
[M+CH3COO]- 249.94689 172.4
[M+Na-2H]- 211.90771 132.2
[M]+ 190.93249 138.5
[M]- 190.93359 138.5
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.