CID 1921789

355421-05-5

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 191.8
[M+Na]+ 384.19342 198.8
[M-H]- 360.19692 197.5
[M+NH4]+ 379.23802 204.2
[M+K]+ 400.16736 192.9
[M+H-H2O]+ 344.20146 181.7
[M+HCOO]- 406.20240 210.5
[M+CH3COO]- 420.21805 220.1
[M+Na-2H]- 382.17887 193.3
[M]+ 361.20365 196.3
[M]- 361.20475 196.3
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.