CID 1929937

Butyl 6-bromo-2-phenyl-4-quinolinecarboxylate

Structural Information

Molecular Formula
C20H18BrNO2
SMILES
CCCCOC(=O)C1=CC(=NC2=C1C=C(C=C2)Br)C3=CC=CC=C3
InChI
InChI=1S/C20H18BrNO2/c1-2-3-11-24-20(23)17-13-19(14-7-5-4-6-8-14)22-18-10-9-15(21)12-16(17)18/h4-10,12-13H,2-3,11H2,1H3
InChIKey
AJMLALAUJODVHB-UHFFFAOYSA-N
Compound name
butyl 6-bromo-2-phenylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.0521 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.05938 183.9
[M+Na]+ 406.04132 194.1
[M-H]- 382.04482 192.2
[M+NH4]+ 401.08592 199.1
[M+K]+ 422.01526 181.7
[M+H-H2O]+ 366.04936 181.3
[M+HCOO]- 428.05030 201.7
[M+CH3COO]- 442.06595 215.2
[M+Na-2H]- 404.02677 189.1
[M]+ 383.05155 205.1
[M]- 383.05265 205.1
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.