CID 1347744

2-(4-nitrophenyl)-2-oxoethyl 6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylate

Structural Information

Molecular Formula
C25H17ClN2O6
SMILES
COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C25H17ClN2O6/c1-33-19-9-4-15(5-10-19)23-13-21(20-12-17(26)6-11-22(20)27-23)25(30)34-14-24(29)16-2-7-18(8-3-16)28(31)32/h2-13H,14H2,1H3
InChIKey
BWTJUIJMXWDMMV-UHFFFAOYSA-N
Compound name
[2-(4-nitrophenyl)-2-oxoethyl] 6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.0775 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.08478 207.8
[M+Na]+ 499.06672 225.3
[M+NH4]+ 494.11132 214.0
[M+K]+ 515.04066 219.4
[M-H]- 475.07022 214.7
[M+Na-2H]- 497.05217 216.7
[M]+ 476.07695 212.6
[M]- 476.07805 212.6
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.