CID 6447628

Brn 5274344

Structural Information

Molecular Formula
C12H11NO4Se
SMILES
COC1=C(C=C(C=C1)/C=C/2\C(=O)NC(=O)[Se]2)OC
InChI
InChI=1S/C12H11NO4Se/c1-16-8-4-3-7(5-9(8)17-2)6-10-11(14)13-12(15)18-10/h3-6H,1-2H3,(H,13,14,15)/b10-6+
InChIKey
TZOCORPIUANFTF-UXBLZVDNSA-N
Compound name
(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-1,3-selenazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.98532 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.99260 164.7
[M+Na]+ 335.97454 173.0
[M-H]- 311.97804 168.8
[M+NH4]+ 331.01914 181.4
[M+K]+ 351.94848 169.1
[M+H-H2O]+ 295.98258 157.3
[M+HCOO]- 357.98352 185.2
[M+CH3COO]- 371.99917 191.9
[M+Na-2H]- 333.95999 164.6
[M]+ 312.98477 165.2
[M]- 312.98587 165.2
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.