CID 2063975

4-methylphenyl 6-bromo-2-(4-bromophenyl)-4-quinolinecarboxylate

Structural Information

Molecular Formula
C23H15Br2NO2
SMILES
CC1=CC=C(C=C1)OC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)Br
InChI
InChI=1S/C23H15Br2NO2/c1-14-2-9-18(10-3-14)28-23(27)20-13-22(15-4-6-16(24)7-5-15)26-21-11-8-17(25)12-19(20)21/h2-13H,1H3
InChIKey
WZSIBAIZRKZQFC-UHFFFAOYSA-N
Compound name
(4-methylphenyl) 6-bromo-2-(4-bromophenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

494.94696 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.95424 190.0
[M+Na]+ 517.93618 199.0
[M-H]- 493.93968 200.6
[M+NH4]+ 512.98078 201.9
[M+K]+ 533.91012 184.5
[M+H-H2O]+ 477.94422 196.0
[M+HCOO]- 539.94516 202.8
[M+CH3COO]- 553.96081 200.8
[M+Na-2H]- 515.92163 193.8
[M]+ 494.94641 224.8
[M]- 494.94751 224.8
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.