CID 3568761

2-(4-ethylphenyl)-2-oxoethyl 2-(4-chlorophenyl)-6-methylquinoline-4-carboxylate

Structural Information

Molecular Formula
C27H22ClNO3
SMILES
CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=C2C=C(C=C3)C)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C27H22ClNO3/c1-3-18-5-7-20(8-6-18)26(30)16-32-27(31)23-15-25(19-9-11-21(28)12-10-19)29-24-13-4-17(2)14-22(23)24/h4-15H,3,16H2,1-2H3
InChIKey
NWRIJCHEIRHIJC-UHFFFAOYSA-N
Compound name
[2-(4-ethylphenyl)-2-oxoethyl] 2-(4-chlorophenyl)-6-methylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.1288 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.13608 207.7
[M+Na]+ 466.11802 226.3
[M+NH4]+ 461.16262 215.6
[M+K]+ 482.09196 215.7
[M-H]- 442.12152 214.7
[M+Na-2H]- 464.10347 217.7
[M]+ 443.12825 213.0
[M]- 443.12935 213.0
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.