CID 1907872

355419-77-1

Structural Information

Molecular Formula
C24H25BrClNO2
SMILES
CCCCCCCCOC(=O)C1=CC(=NC2=C1C=C(C=C2)Br)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C24H25BrClNO2/c1-2-3-4-5-6-7-14-29-24(28)21-16-23(17-8-11-19(26)12-9-17)27-22-13-10-18(25)15-20(21)22/h8-13,15-16H,2-7,14H2,1H3
InChIKey
CHTFKUNZMBMZMZ-UHFFFAOYSA-N
Compound name
octyl 6-bromo-2-(4-chlorophenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.0757 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.08298 206.6
[M+Na]+ 496.06492 216.9
[M-H]- 472.06842 214.2
[M+NH4]+ 491.10952 219.4
[M+K]+ 512.03886 202.0
[M+H-H2O]+ 456.07296 203.7
[M+HCOO]- 518.07390 218.6
[M+CH3COO]- 532.08955 230.4
[M+Na-2H]- 494.05037 208.6
[M]+ 473.07515 231.4
[M]- 473.07625 231.4
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.