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: 8
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]+	306.00278	160.9
[M+Na]+	327.98472	177.3
[M+NH4]+	323.02932	170.0
[M+K]+	343.95866	170.1
[M-H]-	303.98822	165.4
[M+Na-2H]-	325.97017	169.9
[M]+	304.99495	164.7
[M]-	304.99605	164.7

Literature stripe

literature stripe

Patent stripe

patents stripe