CID 3752025

355419-74-8

Structural Information

Molecular Formula
C24H25Br2NO2
SMILES
CCCCCCCCOC(=O)C1=CC(=NC2=C1C=C(C=C2)Br)C3=CC=C(C=C3)Br
InChI
InChI=1S/C24H25Br2NO2/c1-2-3-4-5-6-7-14-29-24(28)21-16-23(17-8-10-18(25)11-9-17)27-22-13-12-19(26)15-20(21)22/h8-13,15-16H,2-7,14H2,1H3
InChIKey
YKRCCHIAEBBJSG-UHFFFAOYSA-N
Compound name
octyl 6-bromo-2-(4-bromophenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

517.0252 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 518.03248 196.5
[M+Na]+ 540.01442 204.2
[M-H]- 516.01792 204.0
[M+NH4]+ 535.05902 208.2
[M+K]+ 555.98836 188.3
[M+H-H2O]+ 500.02246 202.2
[M+HCOO]- 562.02340 208.2
[M+CH3COO]- 576.03905 236.3
[M+Na-2H]- 537.99987 198.9
[M]+ 517.02465 233.6
[M]- 517.02575 233.6
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.