CID 16783974

7-bromo-4-oxo-4h-pyrido[1,2-a]pyrimidine-3-carboxylic acid

Structural Information

Molecular Formula
C9H5BrN2O3
SMILES
C1=CC2=NC=C(C(=O)N2C=C1Br)C(=O)O
InChI
InChI=1S/C9H5BrN2O3/c10-5-1-2-7-11-3-6(9(14)15)8(13)12(7)4-5/h1-4H,(H,14,15)
InChIKey
NYYKIVIYLMKAHH-UHFFFAOYSA-N
Compound name
7-bromo-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.94836 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.95564 144.9
[M+Na]+ 290.93758 149.4
[M+NH4]+ 285.98218 148.3
[M+K]+ 306.91152 150.4
[M-H]- 266.94108 143.8
[M+Na-2H]- 288.92303 147.7
[M]+ 267.94781 143.9
[M]- 267.94891 143.9
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

No patent data available for this compound.