CID 202387

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

Structural Information

Molecular Formula
C12H28N2O6S2
SMILES
CN(CCCCN(C)CCOS(=O)(=O)C)CCOS(=O)(=O)C
InChI
InChI=1S/C12H28N2O6S2/c1-13(9-11-19-21(3,15)16)7-5-6-8-14(2)10-12-20-22(4,17)18/h5-12H2,1-4H3
InChIKey
RMCAONQJJCTRJW-UHFFFAOYSA-N
Compound name
2-[methyl-[4-[methyl(2-methylsulfonyloxyethyl)amino]butyl]amino]ethyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.1389 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.14618 182.0
[M+Na]+ 383.12812 184.9
[M-H]- 359.13162 183.0
[M+NH4]+ 378.17272 195.0
[M+K]+ 399.10206 183.8
[M+H-H2O]+ 343.13616 174.1
[M+HCOO]- 405.13710 194.0
[M+CH3COO]- 419.15275 219.1
[M+Na-2H]- 381.11357 183.5
[M]+ 360.13835 193.0
[M]- 360.13945 193.0
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.