CID 1739433

2-(4-methoxyphenyl)-2-oxoethyl 2-(4-chlorophenyl)-8-methyl-4-quinolinecarboxylate

Structural Information

Molecular Formula
C26H20ClNO4
SMILES
CC1=C2C(=CC=C1)C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)OCC(=O)C4=CC=C(C=C4)OC
InChI
InChI=1S/C26H20ClNO4/c1-16-4-3-5-21-22(14-23(28-25(16)21)17-6-10-19(27)11-7-17)26(30)32-15-24(29)18-8-12-20(31-2)13-9-18/h3-14H,15H2,1-2H3
InChIKey
SGNQDGDMNZQORC-UHFFFAOYSA-N
Compound name
[2-(4-methoxyphenyl)-2-oxoethyl] 2-(4-chlorophenyl)-8-methylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.1081 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.11538 205.9
[M+Na]+ 468.09732 224.2
[M+NH4]+ 463.14192 213.3
[M+K]+ 484.07126 214.3
[M-H]- 444.10082 212.4
[M+Na-2H]- 466.08277 215.7
[M]+ 445.10755 210.9
[M]- 445.10865 210.9
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.