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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.12676 166.7
[M+Na]+ 307.10870 174.2
[M+NH4]+ 302.15330 172.3
[M+K]+ 323.08264 168.6
[M-H]- 283.11220 166.7
[M+Na-2H]- 305.09415 170.8
[M]+ 284.11893 168.0
[M]- 284.12003 168.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.