CID 1921726

2-(4-bromophenyl)-2-oxoethyl 6-chloro-2-(4-chlorophenyl)-4-quinolinecarboxylate

Structural Information

Molecular Formula
C24H14BrCl2NO3
SMILES
C1=CC(=CC=C1C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)Br)Cl
InChI
InChI=1S/C24H14BrCl2NO3/c25-16-5-1-15(2-6-16)23(29)13-31-24(30)20-12-22(14-3-7-17(26)8-4-14)28-21-10-9-18(27)11-19(20)21/h1-12H,13H2
InChIKey
YRMGANZRXZZPQT-UHFFFAOYSA-N
Compound name
[2-(4-bromophenyl)-2-oxoethyl] 6-chloro-2-(4-chlorophenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

512.9534 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.96068 205.4
[M+Na]+ 535.94262 217.5
[M-H]- 511.94612 216.0
[M+NH4]+ 530.98722 216.6
[M+K]+ 551.91656 203.4
[M+H-H2O]+ 495.95066 202.7
[M+HCOO]- 557.95160 213.2
[M+CH3COO]- 571.96725 216.0
[M+Na-2H]- 533.92807 207.7
[M]+ 512.95285 229.6
[M]- 512.95395 229.6
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.