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 193.2
[M+Na]+ 404.13879 201.5
[M-H]- 380.14229 198.8
[M+NH4]+ 399.18339 205.8
[M+K]+ 420.11273 194.2
[M+H-H2O]+ 364.14683 183.8
[M+HCOO]- 426.14777 207.7
[M+CH3COO]- 440.16342 220.7
[M+Na-2H]- 402.12424 194.9
[M]+ 381.14902 199.7
[M]- 381.15012 199.7
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.