CID 2063979

355421-82-8

Structural Information

Molecular Formula
C26H19Br2NO3
SMILES
CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)Br)C
InChI
InChI=1S/C26H19Br2NO3/c1-15-3-4-18(11-16(15)2)25(30)14-32-26(31)22-13-24(17-5-7-19(27)8-6-17)29-23-10-9-20(28)12-21(22)23/h3-13H,14H2,1-2H3
InChIKey
SNIFDVGLNGBMCE-UHFFFAOYSA-N
Compound name
[2-(3,4-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 202.5
[M+Na]+ 573.96236 210.5
[M-H]- 549.96586 212.8
[M+NH4]+ 569.00696 212.4
[M+K]+ 589.93630 196.2
[M+H-H2O]+ 533.97040 207.7
[M+HCOO]- 595.97134 213.7
[M+CH3COO]- 609.98699 212.1
[M+Na-2H]- 571.94781 203.6
[M]+ 550.97259 238.2
[M]- 550.97369 238.2
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.