CID 465339

2,2'-dithiobis(n-(4-bromophenyl)benzamide)

Structural Information

Molecular Formula
C26H18Br2N2O2S2
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)Br)SSC3=CC=CC=C3C(=O)NC4=CC=C(C=C4)Br
InChI
InChI=1S/C26H18Br2N2O2S2/c27-17-9-13-19(14-10-17)29-25(31)21-5-1-3-7-23(21)33-34-24-8-4-2-6-22(24)26(32)30-20-15-11-18(28)12-16-20/h1-16H,(H,29,31)(H,30,32)
InChIKey
RBONHGJNVZZEOW-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-2-[[2-[(4-bromophenyl)carbamoyl]phenyl]disulfanyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

611.91766 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 612.92494 184.1
[M+Na]+ 634.90688 191.1
[M-H]- 610.91038 195.9
[M+NH4]+ 629.95148 192.5
[M+K]+ 650.88082 173.6
[M+H-H2O]+ 594.91492 189.6
[M+HCOO]- 656.91586 191.9
[M+CH3COO]- 670.93151 193.5
[M+Na-2H]- 632.89233 188.1
[M]+ 611.91711 217.9
[M]- 611.91821 217.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.