CID 1925626

346639-73-4

Structural Information

Molecular Formula
C24H15BrClNO3
SMILES
C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)Br
InChI
InChI=1S/C24H15BrClNO3/c25-17-8-6-16(7-9-17)23(28)14-30-24(29)20-13-22(15-4-2-1-3-5-15)27-21-11-10-18(26)12-19(20)21/h1-13H,14H2
InChIKey
WSNQFGMFUYSPKO-UHFFFAOYSA-N
Compound name
[2-(4-bromophenyl)-2-oxoethyl] 6-chloro-2-phenylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.99237 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.99965 203.2
[M+Na]+ 501.98159 213.9
[M-H]- 477.98509 214.2
[M+NH4]+ 497.02619 214.7
[M+K]+ 517.95553 200.5
[M+H-H2O]+ 461.98963 200.0
[M+HCOO]- 523.99057 215.7
[M+CH3COO]- 538.00622 214.0
[M+Na-2H]- 499.96704 206.5
[M]+ 478.99182 225.6
[M]- 478.99292 225.6
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.