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 157.2
[M+Na]+ 340.95322 171.7
[M-H]- 316.95672 162.5
[M+NH4]+ 335.99782 174.4
[M+K]+ 356.92716 159.6
[M+H-H2O]+ 300.96126 156.0
[M+HCOO]- 362.96220 174.8
[M+CH3COO]- 376.97785 171.3
[M+Na-2H]- 338.93867 166.9
[M]+ 317.96345 178.7
[M]- 317.96455 178.7
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.