CID 3021902

Ls-3114

Structural Information

Molecular Formula
C7H16ClN3O3S
SMILES
CN(C)S(=O)(=O)CCNC(=O)NCCCl
InChI
InChI=1S/C7H16ClN3O3S/c1-11(2)15(13,14)6-5-10-7(12)9-4-3-8/h3-6H2,1-2H3,(H2,9,10,12)
InChIKey
RUIGAHCLEIQCRC-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-[2-(dimethylsulfamoyl)ethyl]urea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

257.0601 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.06738 154.8
[M+Na]+ 280.04932 160.2
[M-H]- 256.05282 156.3
[M+NH4]+ 275.09392 172.5
[M+K]+ 296.02326 158.1
[M+H-H2O]+ 240.05736 149.4
[M+HCOO]- 302.05830 170.2
[M+CH3COO]- 316.07395 199.2
[M+Na-2H]- 278.03477 157.6
[M]+ 257.05955 159.7
[M]- 257.06065 159.7
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.