CID 23584104

142168-97-6

Structural Information

Molecular Formula
C7H4BrN3O2
SMILES
C1=C(C=NC2=C1C(=O)NC(=O)N2)Br
InChI
InChI=1S/C7H4BrN3O2/c8-3-1-4-5(9-2-3)10-7(13)11-6(4)12/h1-2H,(H2,9,10,11,12,13)
InChIKey
NVEZTQHZGXJZFC-UHFFFAOYSA-N
Compound name
6-bromo-1H-pyrido[2,3-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

240.94868 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.955956 136.3
[M+Na]+ 263.937898 150.9
[M-H]- 239.941404 138.1
[M+NH4]+ 258.982503 153.8
[M+K]+ 279.911838 137.8
[M+H-H2O]+ 223.945940 135.8
[M+HCOO]- 285.946881 153.0
[M+CH3COO]- 299.962531 150.7
[M+Na-2H]- 261.923346 146.7
[M]+ 240.94813142 153.5
[M]- 240.94922858 153.5
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

patents stripe