CID 3088089

Brn 5593515

Structural Information

Molecular Formula
C12H17ClN2O4S
SMILES
CC(C1=CC=CC=C1)NS(=O)(=O)N(C)C(=O)OCCCl
InChI
InChI=1S/C12H17ClN2O4S/c1-10(11-6-4-3-5-7-11)14-20(17,18)15(2)12(16)19-9-8-13/h3-7,10,14H,8-9H2,1-2H3
InChIKey
PSERXFBNQQLWHV-UHFFFAOYSA-N
Compound name
2-chloroethyl N-methyl-N-(1-phenylethylsulfamoyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.05975 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.067026 169.0
[M+Na]+ 343.048968 174.4
[M-H]- 319.052474 173.8
[M+NH4]+ 338.093573 184.3
[M+K]+ 359.022908 171.9
[M+H-H2O]+ 303.057010 162.8
[M+HCOO]- 365.057951 183.1
[M+CH3COO]- 379.073601 207.4
[M+Na-2H]- 341.034416 171.3
[M]+ 320.05920142 175.6
[M]- 320.06029858 175.6
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.