CID 3086342

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

Structural Information

Molecular Formula
C6H13ClN4O4S
SMILES
CNS(=O)(=O)CCNC(=O)N(CCCl)N=O
InChI
InChI=1S/C6H13ClN4O4S/c1-8-16(14,15)5-3-9-6(12)11(10-13)4-2-7/h8H,2-5H2,1H3,(H,9,12)
InChIKey
SATDQZURIZSSKI-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-[2-(methylsulfamoyl)ethyl]-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

272.0346 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.04188 155.2
[M+Na]+ 295.02382 160.7
[M-H]- 271.02732 158.2
[M+NH4]+ 290.06842 172.4
[M+K]+ 310.99776 159.5
[M+H-H2O]+ 255.03186 149.1
[M+HCOO]- 317.03280 173.8
[M+CH3COO]- 331.04845 205.1
[M+Na-2H]- 293.00927 159.7
[M]+ 272.03405 161.5
[M]- 272.03515 161.5
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.