CID 1739370

Butyl 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylate

Structural Information

Molecular Formula
C21H20BrNO3
SMILES
CCCCOC(=O)C1=CC(=NC2=C1C=C(C=C2)Br)C3=CC=C(C=C3)OC
InChI
InChI=1S/C21H20BrNO3/c1-3-4-11-26-21(24)18-13-20(14-5-8-16(25-2)9-6-14)23-19-10-7-15(22)12-17(18)19/h5-10,12-13H,3-4,11H2,1-2H3
InChIKey
XWMFFJPLXKGFLW-UHFFFAOYSA-N
Compound name
butyl 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.06265 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.06993 187.0
[M+Na]+ 436.05187 192.8
[M+NH4]+ 431.09647 191.0
[M+K]+ 452.02581 190.5
[M-H]- 412.05537 189.5
[M+Na-2H]- 434.03732 191.2
[M]+ 413.06210 187.5
[M]- 413.06320 187.5
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.