CID 129387

Ebselen diselenide

Structural Information

Molecular Formula
C26H20N2O2Se2
SMILES
C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2[Se][Se]C3=CC=CC=C3C(=O)NC4=CC=CC=C4
InChI
InChI=1S/C26H20N2O2Se2/c29-25(27-19-11-3-1-4-12-19)21-15-7-9-17-23(21)31-32-24-18-10-8-16-22(24)26(30)28-20-13-5-2-6-14-20/h1-18H,(H,27,29)(H,28,30)
InChIKey
FTRFOFPAMKYZPH-UHFFFAOYSA-N
Compound name
N-phenyl-2-[[2-(phenylcarbamoyl)phenyl]diselanyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

36
Patents

551.98553 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 552.99281 225.9
[M+Na]+ 574.97475 227.5
[M-H]- 550.97825 236.0
[M+NH4]+ 570.01935 232.1
[M+K]+ 590.94869 220.2
[M+H-H2O]+ 534.98279 212.5
[M+HCOO]- 596.98373 246.9
[M+CH3COO]- 610.99938 231.8
[M+Na-2H]- 572.96020 226.1
[M]+ 551.98498 223.2
[M]- 551.98608 223.2
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

patents stripe