CID 2432599

571155-34-5

Structural Information

Molecular Formula
C8H12BrN3O2
SMILES
CC(C)CN1C(=C(C(=O)NC1=O)Br)N
InChI
InChI=1S/C8H12BrN3O2/c1-4(2)3-12-6(10)5(9)7(13)11-8(12)14/h4H,3,10H2,1-2H3,(H,11,13,14)
InChIKey
BLGXNRDFTXINIM-UHFFFAOYSA-N
Compound name
6-amino-5-bromo-1-(2-methylpropyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

261.0113 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.018576 144.5
[M+Na]+ 284.000518 157.6
[M-H]- 260.004024 147.4
[M+NH4]+ 279.045123 161.9
[M+K]+ 299.974458 145.1
[M+H-H2O]+ 244.008560 143.2
[M+HCOO]- 306.009501 163.0
[M+CH3COO]- 320.025151 193.4
[M+Na-2H]- 281.985966 149.1
[M]+ 261.01075142 162.3
[M]- 261.01184858 162.3
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

No patent data available for this compound.