CID 1739300

2-(4-chlorophenyl)-2-oxoethyl 2-(4-isopropylphenyl)-6-methyl-4-quinolinecarboxylate

Structural Information

Molecular Formula
C28H24ClNO3
SMILES
CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)C(C)C
InChI
InChI=1S/C28H24ClNO3/c1-17(2)19-5-7-20(8-6-19)26-15-24(23-14-18(3)4-13-25(23)30-26)28(32)33-16-27(31)21-9-11-22(29)12-10-21/h4-15,17H,16H2,1-3H3
InChIKey
MYQFMPZPNLQRRX-UHFFFAOYSA-N
Compound name
[2-(4-chlorophenyl)-2-oxoethyl] 6-methyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.14447 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.15175 211.2
[M+Na]+ 480.13369 218.5
[M-H]- 456.13719 219.9
[M+NH4]+ 475.17829 219.6
[M+K]+ 496.10763 211.5
[M+H-H2O]+ 440.14173 200.2
[M+HCOO]- 502.14267 223.4
[M+CH3COO]- 516.15832 235.7
[M+Na-2H]- 478.11914 209.8
[M]+ 457.14392 216.7
[M]- 457.14502 216.7
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.