CID 1921629

355420-69-8

Structural Information

Molecular Formula
C25H17BrN2O5
SMILES
CC1=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/C25H17BrN2O5/c1-15-2-4-16(5-3-15)23-13-21(20-12-18(26)8-11-22(20)27-23)25(30)33-14-24(29)17-6-9-19(10-7-17)28(31)32/h2-13H,14H2,1H3
InChIKey
SYVBILKOLACAME-UHFFFAOYSA-N
Compound name
[2-(4-nitrophenyl)-2-oxoethyl] 6-bromo-2-(4-methylphenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

504.03207 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.03935 205.1
[M+Na]+ 527.02129 211.7
[M+NH4]+ 522.06589 208.0
[M+K]+ 542.99523 212.2
[M-H]- 503.02479 210.0
[M+Na-2H]- 525.00674 210.2
[M]+ 504.03152 206.4
[M]- 504.03262 206.4
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.