CID 3021905

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

Structural Information

Molecular Formula
C11H23ClN4O4S
SMILES
CCCN(CCC)S(=O)(=O)CCNC(=O)N(CCCl)N=O
InChI
InChI=1S/C11H23ClN4O4S/c1-3-7-15(8-4-2)21(19,20)10-6-13-11(17)16(14-18)9-5-12/h3-10H2,1-2H3,(H,13,17)
InChIKey
UZGRTWBSSSBFBV-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-[2-(dipropylsulfamoyl)ethyl]-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

342.11285 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.12013 177.8
[M+Na]+ 365.10207 181.3
[M-H]- 341.10557 181.4
[M+NH4]+ 360.14667 192.8
[M+K]+ 381.07601 180.4
[M+H-H2O]+ 325.11011 170.6
[M+HCOO]- 387.11105 195.3
[M+CH3COO]- 401.12670 223.2
[M+Na-2H]- 363.08752 179.4
[M]+ 342.11230 187.3
[M]- 342.11340 187.3
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