CID 1934185

355433-07-7

Structural Information

Molecular Formula
C26H18Cl3NO3
SMILES
CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=C2C)C(=O)OCC(=O)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C26H18Cl3NO3/c1-14-3-5-16(6-4-14)25-15(2)24(20-11-17(27)8-10-22(20)30-25)26(32)33-13-23(31)19-9-7-18(28)12-21(19)29/h3-12H,13H2,1-2H3
InChIKey
RQEBAXSXHRGBLJ-UHFFFAOYSA-N
Compound name
[2-(2,4-dichlorophenyl)-2-oxoethyl] 6-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

497.03522 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.04250 210.7
[M+Na]+ 520.02444 221.3
[M-H]- 496.02794 218.2
[M+NH4]+ 515.06904 219.2
[M+K]+ 535.99838 213.5
[M+H-H2O]+ 480.03248 201.4
[M+HCOO]- 542.03342 214.5
[M+CH3COO]- 556.04907 218.9
[M+Na-2H]- 518.00989 208.7
[M]+ 497.03467 219.2
[M]- 497.03577 219.2
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.