CID 44146548

Brn 2305149

Structural Information

Molecular Formula
C10H21Cl2N3O7S
SMILES
C(CCl)N(CCCl)S(=O)(=O)N/N=C/[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
InChI
InChI=1S/C10H21Cl2N3O7S/c11-1-3-15(4-2-12)23(21,22)14-13-5-7(17)9(19)10(20)8(18)6-16/h5,7-10,14,16-20H,1-4,6H2/b13-5+/t7-,8+,9+,10+/m0/s1
InChIKey
WTTSTZJSFIBNJU-RIOSXYJZSA-N
Compound name
(1E,2S,3R,4R,5R)-1-[bis(2-chloroethyl)sulfamoylhydrazinylidene]-2,3,4,5,6-pentahydroxyhexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.04773 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.05501 182.4
[M+Na]+ 420.03695 182.8
[M+NH4]+ 415.08155 183.2
[M+K]+ 436.01089 182.7
[M-H]- 396.04045 175.7
[M+Na-2H]- 418.02240 178.5
[M]+ 397.04718 180.4
[M]- 397.04828 180.4
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.