CID 3053969

11h-pyrido(2,1-b)quinazoline-8-carboxylic acid, 2-bromo-11-oxo-

Structural Information

Molecular Formula
C13H7BrN2O3
SMILES
C1=CC2=C(C=C1Br)C(=O)N3C=C(C=CC3=N2)C(=O)O
InChI
InChI=1S/C13H7BrN2O3/c14-8-2-3-10-9(5-8)12(17)16-6-7(13(18)19)1-4-11(16)15-10/h1-6H,(H,18,19)
InChIKey
ZQBBGEMIULQPFZ-UHFFFAOYSA-N
Compound name
2-bromo-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

317.964 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.97128 156.6
[M+Na]+ 340.95322 163.2
[M+NH4]+ 335.99782 160.7
[M+K]+ 356.92716 162.8
[M-H]- 316.95672 156.8
[M+Na-2H]- 338.93867 160.3
[M]+ 317.96345 156.5
[M]- 317.96455 156.5
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

No patent data available for this compound.