CID 1921705

355420-56-3

Structural Information

Molecular Formula
C25H17Cl2NO4
SMILES
COC1=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/C25H17Cl2NO4/c1-31-19-9-4-16(5-10-19)24(29)14-32-25(30)21-13-23(15-2-6-17(26)7-3-15)28-22-11-8-18(27)12-20(21)22/h2-13H,14H2,1H3
InChIKey
KTKHRTDYVODGRI-UHFFFAOYSA-N
Compound name
[2-(4-methoxyphenyl)-2-oxoethyl] 6-chloro-2-(4-chlorophenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.05347 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.06075 205.4
[M+Na]+ 488.04269 214.7
[M-H]- 464.04619 213.9
[M+NH4]+ 483.08729 214.2
[M+K]+ 504.01663 207.8
[M+H-H2O]+ 448.05073 195.2
[M+HCOO]- 510.05167 214.9
[M+CH3COO]- 524.06732 214.3
[M+Na-2H]- 486.02814 206.3
[M]+ 465.05292 213.5
[M]- 465.05402 213.5
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.