CID 135682052

7-bromopyrido[3,2-d]pyrimidin-4(3h)-one

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

224.95377 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.96105 133.6
[M+Na]+ 247.94299 147.8
[M-H]- 223.94649 136.4
[M+NH4]+ 242.98759 152.3
[M+K]+ 263.91693 135.7
[M+H-H2O]+ 207.95103 133.0
[M+HCOO]- 269.95197 151.6
[M+CH3COO]- 283.96762 148.6
[M+Na-2H]- 245.92844 145.3
[M]+ 224.95322 151.6
[M]- 224.95432 151.6
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