CID 3431383

Hexyl 6-bromo-2-phenylquinoline-4-carboxylate

Structural Information

Molecular Formula
C22H22BrNO2
SMILES
CCCCCCOC(=O)C1=CC(=NC2=C1C=C(C=C2)Br)C3=CC=CC=C3
InChI
InChI=1S/C22H22BrNO2/c1-2-3-4-8-13-26-22(25)19-15-21(16-9-6-5-7-10-16)24-20-12-11-17(23)14-18(19)20/h5-7,9-12,14-15H,2-4,8,13H2,1H3
InChIKey
SESYIFYCAAZCAB-UHFFFAOYSA-N
Compound name
hexyl 6-bromo-2-phenylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.0834 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.09068 188.5
[M+Na]+ 434.07262 194.2
[M+NH4]+ 429.11722 192.9
[M+K]+ 450.04656 191.0
[M-H]- 410.07612 191.3
[M+Na-2H]- 432.05807 193.1
[M]+ 411.08285 189.1
[M]- 411.08395 189.1
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.