CID 1934352

355420-55-2

Structural Information

Molecular Formula
C25H17Cl2NO3
SMILES
CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C25H17Cl2NO3/c1-15-2-4-17(5-3-15)24(29)14-31-25(30)21-13-23(16-6-8-18(26)9-7-16)28-22-11-10-19(27)12-20(21)22/h2-13H,14H2,1H3
InChIKey
ZRPQKYWZEFYWJG-UHFFFAOYSA-N
Compound name
[2-(4-methylphenyl)-2-oxoethyl] 6-chloro-2-(4-chlorophenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.05856 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.06584 204.6
[M+Na]+ 472.04778 224.1
[M+NH4]+ 467.09238 212.9
[M+K]+ 488.02172 213.1
[M-H]- 448.05128 211.5
[M+Na-2H]- 470.03323 214.9
[M]+ 449.05801 210.3
[M]- 449.05911 210.3
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.