CID 5020834

8-bromo-2-(pyridin-3-yl)quinoline-4-carboxylic acid

Structural Information

Molecular Formula
C15H9BrN2O2
SMILES
C1=CC2=C(C(=C1)Br)N=C(C=C2C(=O)O)C3=CN=CC=C3
InChI
InChI=1S/C15H9BrN2O2/c16-12-5-1-4-10-11(15(19)20)7-13(18-14(10)12)9-3-2-6-17-8-9/h1-8H,(H,19,20)
InChIKey
YIDGHQSZKRIVOT-UHFFFAOYSA-N
Compound name
8-bromo-2-pyridin-3-ylquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.98474 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.992016 164.2
[M+Na]+ 350.973958 176.1
[M-H]- 326.977464 170.8
[M+NH4]+ 346.018563 179.5
[M+K]+ 366.947898 163.6
[M+H-H2O]+ 310.982000 162.3
[M+HCOO]- 372.982941 181.1
[M+CH3COO]- 386.998591 177.2
[M+Na-2H]- 348.959406 172.0
[M]+ 327.98419142 182.8
[M]- 327.98528858 182.8
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.