CID 1217835

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

Structural Information

Molecular Formula
C25H18ClNO4
SMILES
COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)OCC(=O)C4=CC=CC=C4
InChI
InChI=1S/C25H18ClNO4/c1-30-19-10-7-16(8-11-19)23-14-21(20-13-18(26)9-12-22(20)27-23)25(29)31-15-24(28)17-5-3-2-4-6-17/h2-14H,15H2,1H3
InChIKey
HIXVRKCMOLLBRM-UHFFFAOYSA-N
Compound name
phenacyl 6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.09244 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.09972 201.5
[M+Na]+ 454.08166 209.4
[M-H]- 430.08516 210.4
[M+NH4]+ 449.12626 210.7
[M+K]+ 470.05560 203.1
[M+H-H2O]+ 414.08970 190.5
[M+HCOO]- 476.09064 215.9
[M+CH3COO]- 490.10629 210.6
[M+Na-2H]- 452.06711 203.6
[M]+ 431.09189 207.5
[M]- 431.09299 207.5
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.