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]+ 362.211476 191.8
[M+Na]+ 384.193418 198.8
[M-H]- 360.196924 197.5
[M+NH4]+ 379.238023 204.2
[M+K]+ 400.167358 192.9
[M+H-H2O]+ 344.201460 181.7
[M+HCOO]- 406.202401 210.5
[M+CH3COO]- 420.218051 220.1
[M+Na-2H]- 382.178866 193.3
[M]+ 361.20365142 196.3
[M]- 361.20474858 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.