CID 1934279

355421-71-5

Structural Information

Molecular Formula

C₂₄H₁₇BrClNO₂

SMILES

CC1=C(C(=CC=C1)OC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C24H17BrClNO2/c1-14-4-3-5-23(15(14)2)29-24(28)20-13-22(16-6-9-18(26)10-7-16)27-21-11-8-17(25)12-19(20)21/h3-13H,1-2H3

InChIKey

MEYREWXLNRSIAI-UHFFFAOYSA-N

Compound name

(2,3-dimethylphenyl) 6-bromo-2-(4-chlorophenyl)quinoline-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 465.01312 Da
Monoisotopic Mass: 7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	466.020396	202.7
[M+Na]+	488.002338	215.4
[M-H]-	464.005844	214.3
[M+NH4]+	483.046943	215.6
[M+K]+	503.976278	201.4
[M+H-H2O]+	448.010380	199.6
[M+HCOO]-	510.011321	215.7
[M+CH3COO]-	524.026971	214.3
[M+Na-2H]-	485.987786	205.4
[M]+	465.01257142	225.8
[M]-	465.01366858	225.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.