CID 3641307

1-oxo-1-phenylpropan-2-yl 6-bromo-2-(4-chlorophenyl)quinoline-4-carboxylate

Structural Information

Molecular Formula
C25H17BrClNO3
SMILES
CC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C25H17BrClNO3/c1-15(24(29)17-5-3-2-4-6-17)31-25(30)21-14-23(16-7-10-19(27)11-8-16)28-22-12-9-18(26)13-20(21)22/h2-15H,1H3
InChIKey
WBGICBOOSJDGKG-UHFFFAOYSA-N
Compound name
(1-oxo-1-phenylpropan-2-yl) 6-bromo-2-(4-chlorophenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.00803 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.01531 200.2
[M+Na]+ 515.99725 208.1
[M+NH4]+ 511.04185 204.5
[M+K]+ 531.97119 205.1
[M-H]- 492.00075 204.7
[M+Na-2H]- 513.98270 206.6
[M]+ 493.00748 202.0
[M]- 493.00858 202.0
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.