CID 3740762

355420-57-4

Structural Information

Molecular Formula
C26H19Cl2NO3
SMILES
CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C26H19Cl2NO3/c1-15-3-5-18(6-4-15)25(30)16(2)32-26(31)22-14-24(17-7-9-19(27)10-8-17)29-23-12-11-20(28)13-21(22)23/h3-14,16H,1-2H3
InChIKey
UVQGGTBAXDVRLV-UHFFFAOYSA-N
Compound name
[1-(4-methylphenyl)-1-oxopropan-2-yl] 6-chloro-2-(4-chlorophenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.0742 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.08148 205.9
[M+Na]+ 486.06342 214.6
[M-H]- 462.06692 214.3
[M+NH4]+ 481.10802 214.8
[M+K]+ 502.03736 207.2
[M+H-H2O]+ 446.07146 195.9
[M+HCOO]- 508.07240 214.0
[M+CH3COO]- 522.08805 214.4
[M+Na-2H]- 484.04887 205.1
[M]+ 463.07365 212.5
[M]- 463.07475 212.5
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.