CID 80578

6-amino-5-bromopyrimidine-2,4(1h,3h)-dione

Structural Information

Molecular Formula
C4H4BrN3O2
SMILES
C1(=C(NC(=O)NC1=O)N)Br
InChI
InChI=1S/C4H4BrN3O2/c5-1-2(6)7-4(10)8-3(1)9/h(H4,6,7,8,9,10)
InChIKey
FSLBEEVCUZFKRL-UHFFFAOYSA-N
Compound name
6-amino-5-bromo-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

51
Patents

204.94868 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.95596 127.5
[M+Na]+ 227.93790 141.2
[M-H]- 203.94140 129.3
[M+NH4]+ 222.98250 146.1
[M+K]+ 243.91184 128.3
[M+H-H2O]+ 187.94594 126.8
[M+HCOO]- 249.94688 146.7
[M+CH3COO]- 263.96253 177.8
[M+Na-2H]- 225.92335 135.5
[M]+ 204.94813 142.4
[M]- 204.94923 142.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe