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 149.8
[M+Na]+ 284.00052 152.5
[M+NH4]+ 279.04512 152.2
[M+K]+ 299.97446 153.4
[M-H]- 260.00402 148.4
[M+Na-2H]- 281.98597 151.0
[M]+ 261.01075 148.3
[M]- 261.01185 148.3
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.