CID 1929780

2-oxo-2-phenylethyl 6-chloro-2-(4-chlorophenyl)-4-quinolinecarboxylate

Structural Information

Molecular Formula
C24H15Cl2NO3
SMILES
C1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H15Cl2NO3/c25-17-8-6-15(7-9-17)22-13-20(19-12-18(26)10-11-21(19)27-22)24(29)30-14-23(28)16-4-2-1-3-5-16/h1-13H,14H2
InChIKey
JMIJHWYXBKGSDO-UHFFFAOYSA-N
Compound name
phenacyl 6-chloro-2-(4-chlorophenyl)quinoline-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]+ 436.05018 198.5
[M+Na]+ 458.03212 207.6
[M-H]- 434.03562 206.8
[M+NH4]+ 453.07672 208.4
[M+K]+ 474.00606 199.9
[M+H-H2O]+ 418.04016 188.5
[M+HCOO]- 480.04110 208.2
[M+CH3COO]- 494.05675 207.6
[M+Na-2H]- 456.01757 200.4
[M]+ 435.04235 204.5
[M]- 435.04345 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.