CID 3808115

355421-11-3

Structural Information

Molecular Formula
C23H24ClNO2
SMILES
CCCCCCOC(=O)C1=CC(=NC2=C1C=C(C=C2)Cl)C3=CC=C(C=C3)C
InChI
InChI=1S/C23H24ClNO2/c1-3-4-5-6-13-27-23(26)20-15-22(17-9-7-16(2)8-10-17)25-21-12-11-18(24)14-19(20)21/h7-12,14-15H,3-6,13H2,1-2H3
InChIKey
KVSFFPZMXAZBBB-UHFFFAOYSA-N
Compound name
hexyl 6-chloro-2-(4-methylphenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.14957 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.15685 192.9
[M+Na]+ 404.13879 209.9
[M+NH4]+ 399.18339 201.3
[M+K]+ 420.11273 199.2
[M-H]- 380.14229 198.0
[M+Na-2H]- 402.12424 201.0
[M]+ 381.14902 197.4
[M]- 381.15012 197.4
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.