CID 1921789

Hexyl 6-methyl-2-(4-methylphenyl)quinoline-4-carboxylate

Structural Information

Molecular Formula
C24H27NO2
SMILES
CCCCCCOC(=O)C1=CC(=NC2=C1C=C(C=C2)C)C3=CC=C(C=C3)C
InChI
InChI=1S/C24H27NO2/c1-4-5-6-7-14-27-24(26)21-16-23(19-11-8-17(2)9-12-19)25-22-13-10-18(3)15-20(21)22/h8-13,15-16H,4-7,14H2,1-3H3
InChIKey
FHMOGUHRTOVJET-UHFFFAOYSA-N
Compound name
hexyl 6-methyl-2-(4-methylphenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.2042 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.21148 191.2
[M+Na]+ 384.19342 207.1
[M+NH4]+ 379.23802 199.1
[M+K]+ 400.16736 197.1
[M-H]- 360.19692 196.2
[M+Na-2H]- 382.17887 199.0
[M]+ 361.20365 195.1
[M]- 361.20475 195.1
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.