CID 6447629

Brn 5265918

Structural Information

Molecular Formula
C11H9NO3Se
SMILES
COC1=CC=C(C=C1)/C=C/2\C(=O)NC(=O)[Se]2
InChI
InChI=1S/C11H9NO3Se/c1-15-8-4-2-7(3-5-8)6-9-10(13)12-11(14)16-9/h2-6H,1H3,(H,12,13,14)/b9-6+
InChIKey
WECUPWYURSALGJ-RMKNXTFCSA-N
Compound name
(5E)-5-[(4-methoxyphenyl)methylidene]-1,3-selenazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.97476 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.98204 158.0
[M+Na]+ 305.96398 165.9
[M-H]- 281.96748 161.8
[M+NH4]+ 301.00858 175.7
[M+K]+ 321.93792 161.6
[M+H-H2O]+ 265.97202 150.6
[M+HCOO]- 327.97296 178.6
[M+CH3COO]- 341.98861 185.4
[M+Na-2H]- 303.94943 158.8
[M]+ 282.97421 156.2
[M]- 282.97531 156.2
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.