CID 24846660

92368-02-0

Structural Information

Molecular Formula

C₁₁H₁₃NO₃S

SMILES

CN1C(S(=O)(=O)CCC1=O)C2=CC=CC=C2

InChI

InChI=1S/C11H13NO3S/c1-12-10(13)7-8-16(14,15)11(12)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3

InChIKey

BDSCBDCAOUAKIO-UHFFFAOYSA-N

Compound name

3-methyl-1,1-dioxo-2-phenyl-1,3-thiazinan-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 239.06161 Da
Monoisotopic Mass: 0.4
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]+	240.068886	147.9
[M+Na]+	262.050828	157.1
[M-H]-	238.054334	153.7
[M+NH4]+	257.095433	166.8
[M+K]+	278.024768	153.7
[M+H-H2O]+	222.058870	141.4
[M+HCOO]-	284.059811	163.7
[M+CH3COO]-	298.075461	187.2
[M+Na-2H]-	260.036276	151.1
[M]+	239.06106142	148.2
[M]-	239.06215858	148.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.