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 174.8
[M+Na]+ 420.03695 175.6
[M-H]- 396.04045 170.3
[M+NH4]+ 415.08155 184.0
[M+K]+ 436.01089 172.9
[M+H-H2O]+ 380.04499 171.3
[M+HCOO]- 442.04593 177.4
[M+CH3COO]- 456.06158 215.5
[M+Na-2H]- 418.02240 173.2
[M]+ 397.04718 178.6
[M]- 397.04828 178.6
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.