CID 3086341

Ethanesulfonamide, 2-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-

Structural Information

Molecular Formula
C5H11ClN4O4S
SMILES
C(CS(=O)(=O)N)NC(=O)N(CCCl)N=O
InChI
InChI=1S/C5H11ClN4O4S/c6-1-3-10(9-12)5(11)8-2-4-15(7,13)14/h1-4H2,(H,8,11)(H2,7,13,14)
InChIKey
WPXCIIMXSGOMHQ-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-1-nitroso-3-(2-sulfamoylethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

258.01895 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.02623 150.8
[M+Na]+ 281.00817 156.6
[M-H]- 257.01167 153.4
[M+NH4]+ 276.05277 168.2
[M+K]+ 296.98211 155.3
[M+H-H2O]+ 241.01621 144.8
[M+HCOO]- 303.01715 169.0
[M+CH3COO]- 317.03280 201.6
[M+Na-2H]- 278.99362 154.7
[M]+ 258.01840 155.6
[M]- 258.01950 155.6
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

patents stripe