CID 3067584

81744-07-2

Structural Information

Molecular Formula

C₁₄H₁₁NO₂Se

SMILES

COC1=CC2=C(C=C1)C(=O)N([Se]2)C3=CC=CC=C3

InChI

InChI=1S/C14H11NO2Se/c1-17-11-7-8-12-13(9-11)18-15(14(12)16)10-5-3-2-4-6-10/h2-9H,1H3

InChIKey

XEKCXAWULRRKDV-UHFFFAOYSA-N

Compound name

6-methoxy-2-phenyl-1,2-benzoselenazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 15
Patents: 304.9955 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]+	306.002776	162.5
[M+Na]+	327.984718	173.5
[M-H]-	303.988224	169.6
[M+NH4]+	323.029323	181.3
[M+K]+	343.958658	168.7
[M+H-H2O]+	287.992760	154.2
[M+HCOO]-	349.993701	187.2
[M+CH3COO]-	364.009351	175.9
[M+Na-2H]-	325.970166	167.9
[M]+	304.99495142	166.7
[M]-	304.99604858	166.7

Literature stripe

literature stripe

Patent stripe

patents stripe