CID 1739326

2,3-dimethylphenyl 2-(4-bromophenyl)-4-quinolinecarboxylate

Structural Information

Molecular Formula
C24H18BrNO2
SMILES
CC1=C(C(=CC=C1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br)C
InChI
InChI=1S/C24H18BrNO2/c1-15-6-5-9-23(16(15)2)28-24(27)20-14-22(17-10-12-18(25)13-11-17)26-21-8-4-3-7-19(20)21/h3-14H,1-2H3
InChIKey
NEUXAFLWKIIKHY-UHFFFAOYSA-N
Compound name
(2,3-dimethylphenyl) 2-(4-bromophenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.0521 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.05938 190.8
[M+Na]+ 454.04132 199.4
[M+NH4]+ 449.08592 195.9
[M+K]+ 470.01526 195.7
[M-H]- 430.04482 196.2
[M+Na-2H]- 452.02677 198.1
[M]+ 431.05155 192.8
[M]- 431.05265 192.8
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.