CID 5272984

Chembl3746006

Structural Information

Molecular Formula
C26H22N4O6S2Se2
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)[Se][Se]C3=CC=CC=C3C(=O)NC4=CC=C(C=C4)S(=O)(=O)N
InChI
InChI=1S/C26H22N4O6S2Se2/c27-37(33,34)19-13-9-17(10-14-19)29-25(31)21-5-1-3-7-23(21)39-40-24-8-4-2-6-22(24)26(32)30-18-11-15-20(16-12-18)38(28,35)36/h1-16H,(H,29,31)(H,30,32)(H2,27,33,34)(H2,28,35,36)
InChIKey
RGYYPSSISYWBLX-UHFFFAOYSA-N
Compound name
N-(4-sulfamoylphenyl)-2-[[2-[(4-sulfamoylphenyl)carbamoyl]phenyl]diselanyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

709.9311 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 710.93838 251.7
[M+Na]+ 732.92032 252.6
[M-H]- 708.92382 259.6
[M+NH4]+ 727.96492 250.8
[M+K]+ 748.89426 245.6
[M+H-H2O]+ 692.92836 239.2
[M+HCOO]- 754.92930 261.2
[M+CH3COO]- 768.94495 261.6
[M+Na-2H]- 730.90577 254.1
[M]+ 709.93055 251.0
[M]- 709.93165 251.0
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.