CID 1921939

355420-52-9

Structural Information

Molecular Formula
C24H14Cl3NO3
SMILES
C1=CC(=CC=C1C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)Cl)Cl
InChI
InChI=1S/C24H14Cl3NO3/c25-16-5-1-14(2-6-16)22-12-20(19-11-18(27)9-10-21(19)28-22)24(30)31-13-23(29)15-3-7-17(26)8-4-15/h1-12H,13H2
InChIKey
JNZSCKCLRBLAGE-UHFFFAOYSA-N
Compound name
[2-(4-chlorophenyl)-2-oxoethyl] 6-chloro-2-(4-chlorophenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.00394 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.01122 202.0
[M+Na]+ 491.99316 211.8
[M-H]- 467.99666 209.2
[M+NH4]+ 487.03776 211.0
[M+K]+ 507.96710 204.1
[M+H-H2O]+ 452.00120 192.6
[M+HCOO]- 514.00214 206.4
[M+CH3COO]- 528.01779 210.4
[M+Na-2H]- 489.97861 202.3
[M]+ 469.00339 209.0
[M]- 469.00449 209.0
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.