CID 1925954

355419-78-2

Structural Information

Molecular Formula
C24H27NO3
SMILES
CCCCCCOC(=O)C1=CC(=NC2=C1C=C(C=C2)C)C3=CC=C(C=C3)OC
InChI
InChI=1S/C24H27NO3/c1-4-5-6-7-14-28-24(26)21-16-23(18-9-11-19(27-3)12-10-18)25-22-13-8-17(2)15-20(21)22/h8-13,15-16H,4-7,14H2,1-3H3
InChIKey
MSHDAZNZOVKZAN-UHFFFAOYSA-N
Compound name
hexyl 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.1991 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.20638 195.1
[M+Na]+ 400.18832 201.9
[M-H]- 376.19182 200.7
[M+NH4]+ 395.23292 206.7
[M+K]+ 416.16226 196.7
[M+H-H2O]+ 360.19636 184.7
[M+HCOO]- 422.19730 213.9
[M+CH3COO]- 436.21295 222.2
[M+Na-2H]- 398.17377 196.7
[M]+ 377.19855 200.9
[M]- 377.19965 200.9
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.