CID 2461624

734546-69-1

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]+ 262.018576 142.7
[M+Na]+ 284.000518 157.4
[M-H]- 260.004024 147.3
[M+NH4]+ 279.045123 161.2
[M+K]+ 299.974458 145.4
[M+H-H2O]+ 244.008560 141.4
[M+HCOO]- 306.009501 163.6
[M+CH3COO]- 320.025151 196.0
[M+Na-2H]- 281.985966 148.4
[M]+ 261.01075142 163.3
[M]- 261.01184858 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.