CID 3012948

Schembl5916706

Structural Information

Molecular Formula

C₁₃H₁₀N₂OSe

SMILES

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3[Se]2

InChI

InChI=1S/C13H10N2OSe/c1-9-6-7-12(14-8-9)15-13(16)10-4-2-3-5-11(10)17-15/h2-8H,1H3

InChIKey

DKLQATSZEWRLEU-UHFFFAOYSA-N

Compound name

2-(5-methylpyridin-2-yl)-1,2-benzoselenazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12
Patents: 289.99582 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	291.00310	159.4
[M+Na]+	312.98504	171.0
[M-H]-	288.98854	165.1
[M+NH4]+	308.02964	177.5
[M+K]+	328.95898	165.5
[M+H-H2O]+	272.99308	150.5
[M+HCOO]-	334.99402	182.8
[M+CH3COO]-	349.00967	172.6
[M+Na-2H]-	310.97049	165.2
[M]+	289.99527	162.3
[M]-	289.99637	162.3

Literature stripe

literature stripe

Patent stripe

patents stripe