CID 1739373

2,4-dichlorophenyl 6-methyl-2-(4-methylphenyl)-4-quinolinecarboxylate

Structural Information

Molecular Formula
C24H17Cl2NO2
SMILES
CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)OC4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C24H17Cl2NO2/c1-14-3-6-16(7-4-14)22-13-19(18-11-15(2)5-9-21(18)27-22)24(28)29-23-10-8-17(25)12-20(23)26/h3-13H,1-2H3
InChIKey
NLWNFILYFVKLKJ-UHFFFAOYSA-N
Compound name
(2,4-dichlorophenyl) 6-methyl-2-(4-methylphenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.06363 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.07091 198.3
[M+Na]+ 444.05285 209.4
[M-H]- 420.05635 207.0
[M+NH4]+ 439.09745 209.5
[M+K]+ 460.02679 201.1
[M+H-H2O]+ 404.06089 188.4
[M+HCOO]- 466.06183 208.5
[M+CH3COO]- 480.07748 208.2
[M+Na-2H]- 442.03830 199.5
[M]+ 421.06308 204.8
[M]- 421.06418 204.8
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.