CID 6447520

Brn 5269374

Structural Information

Molecular Formula
C12H12N2O2Se
SMILES
CN(C)C1=CC=C(C=C1)/C=C/2\C(=O)NC(=O)[Se]2
InChI
InChI=1S/C12H12N2O2Se/c1-14(2)9-5-3-8(4-6-9)7-10-11(15)13-12(16)17-10/h3-7H,1-2H3,(H,13,15,16)/b10-7+
InChIKey
YWQXVHNFPHRXQG-JXMROGBWSA-N
Compound name
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-selenazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.0064 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.01368 163.2
[M+Na]+ 318.99562 170.1
[M-H]- 294.99912 168.3
[M+NH4]+ 314.04022 180.7
[M+K]+ 334.96956 166.3
[M+H-H2O]+ 279.00366 155.3
[M+HCOO]- 341.00460 184.9
[M+CH3COO]- 355.02025 194.7
[M+Na-2H]- 316.98107 163.3
[M]+ 296.00585 160.9
[M]- 296.00695 160.9
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.