CID 3012964

7-methyl-2-(2-pyridyl)-[1,2]selenazolo[5,4-b]pyridin-7-ium-3-one

Structural Information

Molecular Formula
C12H10N3OSe
SMILES
C[N+]1=CC=CC2=C1[Se]N(C2=O)C3=CC=CC=N3
InChI
InChI=1S/C12H10N3OSe/c1-14-8-4-5-9-11(16)15(17-12(9)14)10-6-2-3-7-13-10/h2-8H,1H3/q+1
InChIKey
PKZMUHKGOAPGIU-UHFFFAOYSA-N
Compound name
7-methyl-2-pyridin-2-yl-[1,2]selenazolo[5,4-b]pyridin-7-ium-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.9989 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.00618 162.0
[M+Na]+ 314.98812 173.7
[M-H]- 290.99162 166.7
[M+NH4]+ 310.03272 178.3
[M+K]+ 330.96206 162.8
[M+H-H2O]+ 274.99616 155.0
[M+HCOO]- 336.99710 183.9
[M+CH3COO]- 351.01275 184.9
[M+Na-2H]- 312.97357 170.6
[M]+ 291.99835 163.7
[M]- 291.99945 163.7
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.