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]+ 328.99202 164.2
[M+Na]+ 350.97396 176.1
[M-H]- 326.97746 170.8
[M+NH4]+ 346.01856 179.5
[M+K]+ 366.94790 163.6
[M+H-H2O]+ 310.98200 162.3
[M+HCOO]- 372.98294 181.1
[M+CH3COO]- 386.99859 177.2
[M+Na-2H]- 348.95941 172.0
[M]+ 327.98419 182.8
[M]- 327.98529 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.