CID 1739157

2-(4-methoxyphenyl)-2-oxoethyl 6-bromo-2-phenyl-4-quinolinecarboxylate

Structural Information

Molecular Formula
C25H18BrNO4
SMILES
COC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=C4
InChI
InChI=1S/C25H18BrNO4/c1-30-19-10-7-17(8-11-19)24(28)15-31-25(29)21-14-23(16-5-3-2-4-6-16)27-22-12-9-18(26)13-20(21)22/h2-14H,15H2,1H3
InChIKey
VGXKRBRYEBIYNS-UHFFFAOYSA-N
Compound name
[2-(4-methoxyphenyl)-2-oxoethyl] 6-bromo-2-phenylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

475.04193 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.04921 206.3
[M+Na]+ 498.03115 215.0
[M-H]- 474.03465 217.1
[M+NH4]+ 493.07575 216.7
[M+K]+ 514.00509 203.6
[M+H-H2O]+ 458.03919 201.9
[M+HCOO]- 520.04013 222.6
[M+CH3COO]- 534.05578 216.5
[M+Na-2H]- 496.01660 209.2
[M]+ 475.04138 227.6
[M]- 475.04248 227.6
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.