CID 1933972

2-(4-bromophenyl)-2-oxoethyl 6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylate

Structural Information

Molecular Formula
C25H17BrClNO4
SMILES
COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)Br
InChI
InChI=1S/C25H17BrClNO4/c1-31-19-9-4-15(5-10-19)23-13-21(20-12-18(27)8-11-22(20)28-23)25(30)32-14-24(29)16-2-6-17(26)7-3-16/h2-13H,14H2,1H3
InChIKey
FUBRWNYLEZJRHD-UHFFFAOYSA-N
Compound name
[2-(4-bromophenyl)-2-oxoethyl] 6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

509.00296 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.01024 205.4
[M+Na]+ 531.99218 213.4
[M+NH4]+ 527.03678 209.2
[M+K]+ 547.96612 210.2
[M-H]- 507.99568 209.6
[M+Na-2H]- 529.97763 211.3
[M]+ 509.00241 207.1
[M]- 509.00351 207.1
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.