CID 3723778

1-methyl-2-(4-methylphenyl)-2-oxoethyl 6-chloro-2-phenyl-4-quinolinecarboxylate

Structural Information

Molecular Formula
C26H20ClNO3
SMILES
CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C26H20ClNO3/c1-16-8-10-19(11-9-16)25(29)17(2)31-26(30)22-15-24(18-6-4-3-5-7-18)28-23-13-12-20(27)14-21(22)23/h3-15,17H,1-2H3
InChIKey
KXGYHGNZEVPTHF-UHFFFAOYSA-N
Compound name
[1-(4-methylphenyl)-1-oxopropan-2-yl] 6-chloro-2-phenylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.11316 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.12044 202.1
[M+Na]+ 452.10238 220.1
[M+NH4]+ 447.14698 210.0
[M+K]+ 468.07632 210.4
[M-H]- 428.10588 208.8
[M+Na-2H]- 450.08783 212.3
[M]+ 429.11261 207.1
[M]- 429.11371 207.1
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.