CID 2386152

6-amino-5-bromo-1-butyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

Structural Information

Molecular Formula
C8H12BrN3O2
SMILES
CCCCN1C(=C(C(=O)NC1=O)Br)N
InChI
InChI=1S/C8H12BrN3O2/c1-2-3-4-12-6(10)5(9)7(13)11-8(12)14/h2-4,10H2,1H3,(H,11,13,14)
InChIKey
AUTKCNDJEGLZGP-UHFFFAOYSA-N
Compound name
6-amino-5-bromo-1-butylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

261.0113 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.01858 144.2
[M+Na]+ 284.00052 157.5
[M-H]- 260.00402 147.0
[M+NH4]+ 279.04512 161.6
[M+K]+ 299.97446 144.6
[M+H-H2O]+ 244.00856 142.8
[M+HCOO]- 306.00950 163.6
[M+CH3COO]- 320.02515 192.6
[M+Na-2H]- 281.98597 150.0
[M]+ 261.01075 162.5
[M]- 261.01185 162.5
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.