CID 4272249

355420-53-0

Structural Information

Molecular Formula
C24H14Cl2N2O5
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)COC(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H14Cl2N2O5/c25-16-6-4-14(5-7-16)22-12-20(19-11-17(26)8-9-21(19)27-22)24(30)33-13-23(29)15-2-1-3-18(10-15)28(31)32/h1-12H,13H2
InChIKey
QUTLEXHYIRJGMA-UHFFFAOYSA-N
Compound name
[2-(3-nitrophenyl)-2-oxoethyl] 6-chloro-2-(4-chlorophenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.02798 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.03526 209.0
[M+Na]+ 503.01720 215.3
[M-H]- 479.02070 216.9
[M+NH4]+ 498.06180 215.6
[M+K]+ 518.99114 205.3
[M+H-H2O]+ 463.02524 203.2
[M+HCOO]- 525.02618 219.2
[M+CH3COO]- 539.04183 228.4
[M+Na-2H]- 501.00265 211.7
[M]+ 480.02743 214.0
[M]- 480.02853 214.0
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.