CID 1739272

2-(4-bromophenyl)-2-oxoethyl 3-methyl-2-(4-methylphenyl)-4-quinolinecarboxylate

Structural Information

Molecular Formula
C26H20BrNO3
SMILES
CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2C)C(=O)OCC(=O)C4=CC=C(C=C4)Br
InChI
InChI=1S/C26H20BrNO3/c1-16-7-9-19(10-8-16)25-17(2)24(21-5-3-4-6-22(21)28-25)26(30)31-15-23(29)18-11-13-20(27)14-12-18/h3-14H,15H2,1-2H3
InChIKey
XUAPMKNNEDAWCQ-UHFFFAOYSA-N
Compound name
[2-(4-bromophenyl)-2-oxoethyl] 3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.06265 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.06993 199.5
[M+Na]+ 496.05187 207.0
[M+NH4]+ 491.09647 203.5
[M+K]+ 512.02581 204.1
[M-H]- 472.05537 204.1
[M+Na-2H]- 494.03732 205.7
[M]+ 473.06210 201.0
[M]- 473.06320 201.0
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.