CID 2461624

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

Structural Information

Molecular Formula
C8H12BrN3O2
SMILES
CCCN1C(=C(C(=O)N(C1=O)C)Br)N
InChI
InChI=1S/C8H12BrN3O2/c1-3-4-12-6(10)5(9)7(13)11(2)8(12)14/h3-4,10H2,1-2H3
InChIKey
GEFIEODHEDWDMO-UHFFFAOYSA-N
Compound name
6-amino-5-bromo-3-methyl-1-propylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.0113 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.01858 148.8
[M+Na]+ 284.00052 152.2
[M+NH4]+ 279.04512 151.5
[M+K]+ 299.97446 153.1
[M-H]- 260.00402 147.8
[M+Na-2H]- 281.98597 150.4
[M]+ 261.01075 147.6
[M]- 261.01185 147.6
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.