CID 23584104

6-bromopyrido[2,3-d]pyrimidine-2,4(1h,3h)-dione

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

28
Patents

240.94868 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.95596 136.3
[M+Na]+ 263.93790 150.9
[M-H]- 239.94140 138.1
[M+NH4]+ 258.98250 153.8
[M+K]+ 279.91184 137.8
[M+H-H2O]+ 223.94594 135.8
[M+HCOO]- 285.94688 153.0
[M+CH3COO]- 299.96253 150.7
[M+Na-2H]- 261.92335 146.7
[M]+ 240.94813 153.5
[M]- 240.94923 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