CID 1739361

Dtxsid901129240

Structural Information

Molecular Formula
C26H19Cl2NO3
SMILES
CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2C)C(=O)OCC(=O)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C26H19Cl2NO3/c1-15-7-9-17(10-8-15)25-16(2)24(20-5-3-4-6-22(20)29-25)26(31)32-14-23(30)19-12-11-18(27)13-21(19)28/h3-13H,14H2,1-2H3
InChIKey
SUDRKEPNWFSAFE-UHFFFAOYSA-N
Compound name
[2-(2,4-dichlorophenyl)-2-oxoethyl] 3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.0742 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.08148 207.6
[M+Na]+ 486.06342 217.5
[M-H]- 462.06692 216.2
[M+NH4]+ 481.10802 216.9
[M+K]+ 502.03736 209.6
[M+H-H2O]+ 446.07146 197.5
[M+HCOO]- 508.07240 216.5
[M+CH3COO]- 522.08805 216.5
[M+Na-2H]- 484.04887 207.0
[M]+ 463.07365 215.1
[M]- 463.07475 215.1
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.