CID 3045048

58120-03-9

Structural Information

Molecular Formula

C₁₆H₁₆N₂O₂S

SMILES

CC1(CC(=NS(=O)(=O)N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C16H16N2O2S/c1-16(14-10-6-3-7-11-14)12-15(17-21(19,20)18-16)13-8-4-2-5-9-13/h2-11,18H,12H2,1H3

InChIKey

MLTKQXFHNAITJV-UHFFFAOYSA-N

Compound name

3-methyl-3,5-diphenyl-2,4-dihydro-1,2,6-thiadiazine 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 300.09326 Da
Monoisotopic Mass: 2.5
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]+	301.100536	166.9
[M+Na]+	323.082478	176.1
[M-H]-	299.085984	172.9
[M+NH4]+	318.127083	182.6
[M+K]+	339.056418	170.1
[M+H-H2O]+	283.090520	158.1
[M+HCOO]-	345.091461	180.9
[M+CH3COO]-	359.107111	177.7
[M+Na-2H]-	321.067926	172.3
[M]+	300.09271142	165.7
[M]-	300.09380858	165.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.