CID 3738231

1-benzoylpropyl 6-bromo-2-phenyl-4-quinolinecarboxylate

Structural Information

Molecular Formula
C26H20BrNO3
SMILES
CCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=C4
InChI
InChI=1S/C26H20BrNO3/c1-2-24(25(29)18-11-7-4-8-12-18)31-26(30)21-16-23(17-9-5-3-6-10-17)28-22-14-13-19(27)15-20(21)22/h3-16,24H,2H2,1H3
InChIKey
PBAGUYCCYNAGNI-UHFFFAOYSA-N
Compound name
(1-oxo-1-phenylbutan-2-yl) 6-bromo-2-phenylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.06265 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.06993 197.7
[M+Na]+ 496.05187 204.2
[M+NH4]+ 491.09647 201.5
[M+K]+ 512.02581 201.8
[M-H]- 472.05537 201.9
[M+Na-2H]- 494.03732 204.0
[M]+ 473.06210 198.8
[M]- 473.06320 198.8
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.