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

4
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

literature stripe

Patent stripe

patents stripe