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]+ 268.955636 142.8
[M+Na]+ 290.937578 156.5
[M-H]- 266.941084 147.0
[M+NH4]+ 285.982183 161.0
[M+K]+ 306.911518 145.2
[M+H-H2O]+ 250.945620 142.2
[M+HCOO]- 312.946561 160.8
[M+CH3COO]- 326.962211 190.6
[M+Na-2H]- 288.923026 151.6
[M]+ 267.94781142 162.7
[M]- 267.94890858 162.7
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