CID 2063981

2-(2,5-dimethylphenyl)-2-oxoethyl 6-bromo-2-(4-bromophenyl)quinoline-4-carboxylate

Structural Information

Molecular Formula
C26H19Br2NO3
SMILES
CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)Br
InChI
InChI=1S/C26H19Br2NO3/c1-15-3-4-16(2)20(11-15)25(30)14-32-26(31)22-13-24(17-5-7-18(27)8-6-17)29-23-10-9-19(28)12-21(22)23/h3-13H,14H2,1-2H3
InChIKey
TVRSEERKFMQZHY-UHFFFAOYSA-N
Compound name
[2-(2,5-dimethylphenyl)-2-oxoethyl] 6-bromo-2-(4-bromophenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

550.97314 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.98042 192.1
[M+Na]+ 573.96236 189.6
[M+NH4]+ 569.00696 193.3
[M+K]+ 589.93630 194.0
[M-H]- 549.96586 195.1
[M+Na-2H]- 571.94781 194.6
[M]+ 550.97259 191.7
[M]- 550.97369 191.7
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.