CID 138987821

2305253-37-4

Structural Information

Molecular Formula

C₁₃H₂₀N₂O₃S

SMILES

CC(C)(C)OC(=O)NCCS(=N)(=O)C1=CC=CC=C1

InChI

InChI=1S/C13H20N2O3S/c1-13(2,3)18-12(16)15-9-10-19(14,17)11-7-5-4-6-8-11/h4-8,14H,9-10H2,1-3H3,(H,15,16)

InChIKey

NVLGGSQEDUVBJJ-UHFFFAOYSA-N

Compound name

tert-butyl N-[2-(phenylsulfonimidoyl)ethyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 284.11948 Da
Monoisotopic Mass: 3.1
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]+	285.126756	165.5
[M+Na]+	307.108698	170.6
[M-H]-	283.112204	168.6
[M+NH4]+	302.153303	181.0
[M+K]+	323.082638	167.5
[M+H-H2O]+	267.116740	158.8
[M+HCOO]-	329.117681	182.4
[M+CH3COO]-	343.133331	200.2
[M+Na-2H]-	305.094146	170.0
[M]+	284.11893142	167.6
[M]-	284.12002858	167.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.