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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.06703 169.2
[M+Na]+ 343.04897 175.1
[M-H]- 319.05247 175.4
[M+NH4]+ 338.09357 185.3
[M+K]+ 359.02291 173.4
[M+H-H2O]+ 303.05701 162.7
[M+HCOO]- 365.05795 184.8
[M+CH3COO]- 379.07360 209.9
[M+Na-2H]- 341.03442 171.9
[M]+ 320.05920 177.7
[M]- 320.06030 177.7
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.