CID 1934301

355421-13-5

Structural Information

Molecular Formula
C25H28ClNO2
SMILES
CCCCCCCCOC(=O)C1=CC(=NC2=C1C=C(C=C2)Cl)C3=CC=C(C=C3)C
InChI
InChI=1S/C25H28ClNO2/c1-3-4-5-6-7-8-15-29-25(28)22-17-24(19-11-9-18(2)10-12-19)27-23-14-13-20(26)16-21(22)23/h9-14,16-17H,3-8,15H2,1-2H3
InChIKey
YQKFGCADEKUQKM-UHFFFAOYSA-N
Compound name
octyl 6-chloro-2-(4-methylphenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.18085 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.18813 202.4
[M+Na]+ 432.17007 209.8
[M-H]- 408.17357 207.6
[M+NH4]+ 427.21467 213.8
[M+K]+ 448.14401 202.1
[M+H-H2O]+ 392.17811 192.6
[M+HCOO]- 454.17905 216.2
[M+CH3COO]- 468.19470 226.5
[M+Na-2H]- 430.15552 203.0
[M]+ 409.18030 209.5
[M]- 409.18140 209.6
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.