CID 42544149

1000018-19-8

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂S

SMILES

C1CNS(=O)(=O)N(C1)CC2=CC=CC=C2

InChI

InChI=1S/C10H14N2O2S/c13-15(14)11-7-4-8-12(15)9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2

InChIKey

JUFCSQWFQHSDDX-UHFFFAOYSA-N

Compound name

2-benzyl-1,2,6-thiadiazinane 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 226.0776 Da
Monoisotopic Mass: 0.9
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]+	227.08488	147.2
[M+Na]+	249.06682	154.7
[M-H]-	225.07032	149.5
[M+NH4]+	244.11142	164.1
[M+K]+	265.04076	150.4
[M+H-H2O]+	209.07486	140.0
[M+HCOO]-	271.07580	160.3
[M+CH3COO]-	285.09145	180.9
[M+Na-2H]-	247.05227	151.5
[M]+	226.07705	144.3
[M]-	226.07815	144.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe