CID 3012952

2-(1-methylpyridin-1-ium-3-yl)-1,2-benzoselenazol-3-one

Structural Information

Molecular Formula
C13H11N2OSe
SMILES
C[N+]1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3[Se]2
InChI
InChI=1S/C13H11N2OSe/c1-14-8-4-5-10(9-14)15-13(16)11-6-2-3-7-12(11)17-15/h2-9H,1H3/q+1
InChIKey
AMRXTBOXSBJIAR-UHFFFAOYSA-N
Compound name
2-(1-methylpyridin-1-ium-3-yl)-1,2-benzoselenazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.00366 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.01094 162.1
[M+Na]+ 313.99288 173.4
[M-H]- 289.99638 168.2
[M+NH4]+ 309.03748 179.9
[M+K]+ 329.96682 162.6
[M+H-H2O]+ 274.00092 155.9
[M+HCOO]- 336.00186 185.2
[M+CH3COO]- 350.01751 185.0
[M+Na-2H]- 311.97833 170.2
[M]+ 291.00311 163.8
[M]- 291.00421 163.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.