CID 137032185

6-bromo-3h,4h-pyrido[3,2-d]pyrimidin-4-one

Structural Information

Molecular Formula
C7H4BrN3O
SMILES
C1=CC(=NC2=C1N=CNC2=O)Br
InChI
InChI=1S/C7H4BrN3O/c8-5-2-1-4-6(11-5)7(12)10-3-9-4/h1-3H,(H,9,10,12)
InChIKey
ZMLAKQMLQBXHAL-UHFFFAOYSA-N
Compound name
6-bromo-3H-pyrido[3,2-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

224.95377 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.96105 137.2
[M+Na]+ 247.94299 142.7
[M+NH4]+ 242.98759 141.6
[M+K]+ 263.91693 142.5
[M-H]- 223.94649 136.6
[M+Na-2H]- 245.92844 141.4
[M]+ 224.95322 136.6
[M]- 224.95432 136.6
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

patents stripe