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]+ 321.06703 169.0
[M+Na]+ 343.04897 174.4
[M-H]- 319.05247 173.8
[M+NH4]+ 338.09357 184.3
[M+K]+ 359.02291 171.9
[M+H-H2O]+ 303.05701 162.8
[M+HCOO]- 365.05795 183.1
[M+CH3COO]- 379.07360 207.4
[M+Na-2H]- 341.03442 171.3
[M]+ 320.05920 175.6
[M]- 320.06030 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.