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 142.7
[M+Na]+ 284.00052 157.4
[M-H]- 260.00402 147.3
[M+NH4]+ 279.04512 161.2
[M+K]+ 299.97446 145.4
[M+H-H2O]+ 244.00856 141.4
[M+HCOO]- 306.00950 163.6
[M+CH3COO]- 320.02515 196.0
[M+Na-2H]- 281.98597 148.4
[M]+ 261.01075 163.3
[M]- 261.01185 163.3
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.