CID 154700115

Ns00117824

Structural Information

Molecular Formula

C₂₀H₃₂N₂O₄S

SMILES

CCCCN(CCCC)S(=O)N(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C

InChI

InChI=1S/C20H32N2O4S/c1-6-8-13-22(14-9-7-2)27(24)21(5)19(23)25-17-12-10-11-16-15-20(3,4)26-18(16)17/h10-12H,6-9,13-15H2,1-5H3

InChIKey

YNQSDWJJQZKEPB-UHFFFAOYSA-N

Compound name

(2,2-dimethyl-3H-1-benzofuran-7-yl) N-dibutylsulfinamoyl-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 396.20828 Da
Monoisotopic Mass: 5.1
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]+	397.215556	197.7
[M+Na]+	419.197498	201.5
[M-H]-	395.201004	204.3
[M+NH4]+	414.242103	213.6
[M+K]+	435.171438	201.9
[M+H-H2O]+	379.205540	191.2
[M+HCOO]-	441.206481	213.6
[M+CH3COO]-	455.222131	231.0
[M+Na-2H]-	417.182946	196.4
[M]+	396.20773142	207.6
[M]-	396.20882858	207.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.