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 142.8
[M+Na]+ 290.93758 156.5
[M-H]- 266.94108 147.0
[M+NH4]+ 285.98218 161.0
[M+K]+ 306.91152 145.2
[M+H-H2O]+ 250.94562 142.2
[M+HCOO]- 312.94656 160.8
[M+CH3COO]- 326.96221 190.6
[M+Na-2H]- 288.92303 151.6
[M]+ 267.94781 162.7
[M]- 267.94891 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