CID 135741586

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

Structural Information

Molecular Formula
C7H4BrN3O
SMILES
C1=C(C=NC2=C1C(=O)NC=N2)Br
InChI
InChI=1S/C7H4BrN3O/c8-4-1-5-6(9-2-4)10-3-11-7(5)12/h1-3H,(H,9,10,11,12)
InChIKey
CEIXKKYHWOYPLV-UHFFFAOYSA-N
Compound name
6-bromo-3H-pyrido[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
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

literature stripe

Patent stripe

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