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 161.0
[M+Na]+ 321.95889 169.2
[M-H]- 297.96239 163.8
[M+NH4]+ 317.00349 177.5
[M+K]+ 337.93283 164.7
[M+H-H2O]+ 281.96693 154.0
[M+HCOO]- 343.96787 180.3
[M+CH3COO]- 357.98352 186.5
[M+Na-2H]- 319.94434 160.8
[M]+ 298.96912 159.2
[M]- 298.97022 159.2
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.