CID 1940009

355826-79-8

Structural Information

Molecular Formula
C28H24ClNO3
SMILES
CC1=C2C(=CC=C1)C(=CC(=N2)C3=CC=C(C=C3)C(C)C)C(=O)OCC(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C28H24ClNO3/c1-17(2)19-7-9-20(10-8-19)25-15-24(23-6-4-5-18(3)27(23)30-25)28(32)33-16-26(31)21-11-13-22(29)14-12-21/h4-15,17H,16H2,1-3H3
InChIKey
IJHBBCSQVPYEIU-UHFFFAOYSA-N
Compound name
[2-(4-chlorophenyl)-2-oxoethyl] 8-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 211.1
[M+Na]+ 480.13369 229.1
[M+NH4]+ 475.17829 218.7
[M+K]+ 496.10763 219.1
[M-H]- 456.13719 217.9
[M+Na-2H]- 478.11914 220.6
[M]+ 457.14392 216.2
[M]- 457.14502 216.2
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.