CID 202389

Ethanol, 2,2'-hexamethylenebis(methylimino)di-, bismethanesulfonate (ester), dihydrochloride

Structural Information

Molecular Formula
C14H32N2O6S2
SMILES
CN(CCCCCCN(C)CCOS(=O)(=O)C)CCOS(=O)(=O)C
InChI
InChI=1S/C14H32N2O6S2/c1-15(11-13-21-23(3,17)18)9-7-5-6-8-10-16(2)12-14-22-24(4,19)20/h5-14H2,1-4H3
InChIKey
VIMATVALBXDCOZ-UHFFFAOYSA-N
Compound name
2-[methyl-[6-[methyl(2-methylsulfonyloxyethyl)amino]hexyl]amino]ethyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.17017 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.17745 190.3
[M+Na]+ 411.15939 192.3
[M-H]- 387.16289 190.9
[M+NH4]+ 406.20399 210.6
[M+K]+ 427.13333 190.8
[M+H-H2O]+ 371.16743 182.0
[M+HCOO]- 433.16837 201.7
[M+CH3COO]- 447.18402 224.8
[M+Na-2H]- 409.14484 191.1
[M]+ 388.16962 202.0
[M]- 388.17072 202.0
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.