CID 3088088

Brn 5593442

Structural Information

Molecular Formula

C₁₂H₁₇ClN₂O₄S

SMILES

CN(CC1=CC=CC=C1)S(=O)(=O)N(C)C(=O)OCCCl

InChI

InChI=1S/C12H17ClN2O4S/c1-14(10-11-6-4-3-5-7-11)20(17,18)15(2)12(16)19-9-8-13/h3-7H,8-10H2,1-2H3

InChIKey

ZAXOZWHJGXRKKM-UHFFFAOYSA-N

Compound name

2-chloroethyl N-[benzyl(methyl)sulfamoyl]-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 320.05975 Da
Monoisotopic Mass: 1.7
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]+	321.067026	169.2
[M+Na]+	343.048968	175.1
[M-H]-	319.052474	175.4
[M+NH4]+	338.093573	185.3
[M+K]+	359.022908	173.4
[M+H-H2O]+	303.057010	162.7
[M+HCOO]-	365.057951	184.8
[M+CH3COO]-	379.073601	209.9
[M+Na-2H]-	341.034416	171.9
[M]+	320.05920142	177.7
[M]-	320.06029858	177.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.