CID 10387485

Ethaselen

Structural Information

Molecular Formula
C16H12N2O2Se2
SMILES
C1=CC=C2C(=C1)C(=O)N([Se]2)CCN3C(=O)C4=CC=CC=C4[Se]3
InChI
InChI=1S/C16H12N2O2Se2/c19-15-11-5-1-3-7-13(11)21-17(15)9-10-18-16(20)12-6-2-4-8-14(12)22-18/h1-8H,9-10H2
InChIKey
SFFSGPCYJCMDJM-UHFFFAOYSA-N
Compound name
2-[2-(3-oxo-1,2-benzoselenazol-2-yl)ethyl]-1,2-benzoselenazol-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

29
References

1041
Patents

423.9229 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.93018 189.1
[M+Na]+ 446.91212 201.4
[M-H]- 422.91562 196.0
[M+NH4]+ 441.95672 206.6
[M+K]+ 462.88606 194.4
[M+H-H2O]+ 406.92016 179.7
[M+HCOO]- 468.92110 212.7
[M+CH3COO]- 482.93675 201.0
[M+Na-2H]- 444.89757 191.3
[M]+ 423.92235 195.4
[M]- 423.92345 195.4
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