CID 1929908

355420-41-6

Structural Information

Molecular Formula
C24H15Cl2NO3
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)Cl
InChI
InChI=1S/C24H15Cl2NO3/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
BUMHTYOQVKYZSL-UHFFFAOYSA-N
Compound name
[2-(4-chlorophenyl)-2-oxoethyl] 6-chloro-2-phenylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.0429 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.050176 198.5
[M+Na]+ 458.032118 207.6
[M-H]- 434.035624 206.8
[M+NH4]+ 453.076723 208.4
[M+K]+ 474.006058 199.9
[M+H-H2O]+ 418.040160 188.5
[M+HCOO]- 480.041101 208.2
[M+CH3COO]- 494.056751 207.6
[M+Na-2H]- 456.017566 200.4
[M]+ 435.04235142 204.5
[M]- 435.04344858 204.5
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.