CID 6448134

Brn 5033017

Structural Information

Molecular Formula
C11H9NO4Se
SMILES
COC1=C(C=CC(=C1)/C=C\2/C(=O)NC(=O)[Se]2)O
InChI
InChI=1S/C11H9NO4Se/c1-16-8-4-6(2-3-7(8)13)5-9-10(14)12-11(15)17-9/h2-5,13H,1H3,(H,12,14,15)/b9-5-
InChIKey
KSBOOMNXLVBGPI-UITAMQMPSA-N
Compound name
(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-selenazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.96967 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.97695 161.4
[M+Na]+ 321.95889 171.9
[M+NH4]+ 317.00349 166.9
[M+K]+ 337.93283 168.3
[M-H]- 297.96239 161.5
[M+Na-2H]- 319.94434 164.3
[M]+ 298.96912 162.4
[M]- 298.97022 162.4
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.