CID 1739360

2-(2,4-dichlorophenyl)-2-oxoethyl 8-methyl-2-phenyl-4-quinolinecarboxylate

Structural Information

Molecular Formula
C25H17Cl2NO3
SMILES
CC1=C2C(=CC=C1)C(=CC(=N2)C3=CC=CC=C3)C(=O)OCC(=O)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C25H17Cl2NO3/c1-15-6-5-9-18-20(13-22(28-24(15)18)16-7-3-2-4-8-16)25(30)31-14-23(29)19-11-10-17(26)12-21(19)27/h2-13H,14H2,1H3
InChIKey
GLZDFKWDYSSUNP-UHFFFAOYSA-N
Compound name
[2-(2,4-dichlorophenyl)-2-oxoethyl] 8-methyl-2-phenylquinoline-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 203.1
[M+Na]+ 472.04778 212.6
[M-H]- 448.05128 211.5
[M+NH4]+ 467.09238 212.7
[M+K]+ 488.02172 204.8
[M+H-H2O]+ 432.05582 193.0
[M+HCOO]- 494.05676 212.4
[M+CH3COO]- 508.07241 212.1
[M+Na-2H]- 470.03323 203.7
[M]+ 449.05801 209.8
[M]- 449.05911 209.8
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.