CID 131632941

91893-56-0

Structural Information

Molecular Formula
C8H18ClN4O5S
SMILES
CN(CCO)S(=O)(=O)CCNC(=O)N[N+](=O)CCCl
InChI
InChI=1S/C8H17ClN4O5S/c1-12(5-6-14)19(17,18)7-3-10-8(15)11-13(16)4-2-9/h14H,2-7H2,1H3,(H-,10,11,15,16)/p+1
InChIKey
HKVADYRNINSBQC-UHFFFAOYSA-O
Compound name
2-chloroethyl-[2-[2-hydroxyethyl(methyl)sulfamoyl]ethylcarbamoylamino]-oxoazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

317.06863 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.07591 161.0
[M+Na]+ 340.05785 164.2
[M-H]- 316.06135 162.3
[M+NH4]+ 335.10245 175.1
[M+K]+ 356.03179 157.6
[M+H-H2O]+ 300.06589 157.6
[M+HCOO]- 362.06683 176.5
[M+CH3COO]- 376.08248 203.7
[M+Na-2H]- 338.04330 166.5
[M]+ 317.06808 165.1
[M]- 317.06918 165.1
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