CID 4419587

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

Structural Information

Molecular Formula
C25H17BrN2O6
SMILES
COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C25H17BrN2O6/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
QBUNTERTLIYIGY-UHFFFAOYSA-N
Compound name
[2-(4-nitrophenyl)-2-oxoethyl] 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

520.027 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.03428 208.1
[M+Na]+ 543.01622 214.3
[M+NH4]+ 538.06082 210.5
[M+K]+ 558.99016 215.2
[M-H]- 519.01972 212.6
[M+Na-2H]- 541.00167 212.8
[M]+ 520.02645 209.1
[M]- 520.02755 209.1
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.