CID 3045374

Ethanesulfonamide, 2-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-n-ethyl-n-propyl-

Structural Information

Molecular Formula
C10H21ClN4O4S
SMILES
CCCN(CC)S(=O)(=O)CCNC(=O)N(CCCl)N=O
InChI
InChI=1S/C10H21ClN4O4S/c1-3-7-14(4-2)20(18,19)9-6-12-10(16)15(13-17)8-5-11/h3-9H2,1-2H3,(H,12,16)
InChIKey
VBYJDSHYVNCROJ-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-[2-[ethyl(propyl)sulfamoyl]ethyl]-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

328.0972 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.10448 174.6
[M+Na]+ 351.08642 178.6
[M+NH4]+ 346.13102 178.6
[M+K]+ 367.06036 174.1
[M-H]- 327.08992 173.1
[M+Na-2H]- 349.07187 175.2
[M]+ 328.09665 174.7
[M]- 328.09775 174.7
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

patents stripe