CID 1930066

355421-00-0

Structural Information

Molecular Formula
C24H26BrNO2
SMILES
CCCCCCCCOC(=O)C1=CC(=NC2=C1C=C(C=C2)Br)C3=CC=CC=C3
InChI
InChI=1S/C24H26BrNO2/c1-2-3-4-5-6-10-15-28-24(27)21-17-23(18-11-8-7-9-12-18)26-22-14-13-19(25)16-20(21)22/h7-9,11-14,16-17H,2-6,10,15H2,1H3
InChIKey
PSNXDSMYOAPOQM-UHFFFAOYSA-N
Compound name
octyl 6-bromo-2-phenylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.1147 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.12198 202.3
[M+Na]+ 462.10392 210.6
[M-H]- 438.10742 209.6
[M+NH4]+ 457.14852 215.1
[M+K]+ 478.07786 197.4
[M+H-H2O]+ 422.11196 198.7
[M+HCOO]- 484.11290 218.6
[M+CH3COO]- 498.12855 226.1
[M+Na-2H]- 460.08937 205.1
[M]+ 439.11415 224.5
[M]- 439.11525 224.5
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.