CID 1939280

355421-22-6

Structural Information

Molecular Formula
C23H24ClNO3
SMILES
CCCCCCOC(=O)C1=CC(=NC2=C1C=C(C=C2)Cl)C3=CC=C(C=C3)OC
InChI
InChI=1S/C23H24ClNO3/c1-3-4-5-6-13-28-23(26)20-15-22(16-7-10-18(27-2)11-8-16)25-21-12-9-17(24)14-19(20)21/h7-12,14-15H,3-6,13H2,1-2H3
InChIKey
CLVXVFPNPKJFSW-UHFFFAOYSA-N
Compound name
hexyl 6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.14447 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.15175 196.1
[M+Na]+ 420.13369 204.2
[M-H]- 396.13719 201.7
[M+NH4]+ 415.17829 207.9
[M+K]+ 436.10763 197.7
[M+H-H2O]+ 380.14173 186.5
[M+HCOO]- 442.14267 210.8
[M+CH3COO]- 456.15832 222.7
[M+Na-2H]- 418.11914 197.8
[M]+ 397.14392 204.0
[M]- 397.14502 204.0
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.