CID 202385

N,n'-bis(2-mesyloxyethyl)-n,n'-dimethyltrimethylenediamine dihydrochloride

Structural Information

Molecular Formula
C11H26N2O6S2
SMILES
CN(CCCN(C)CCOS(=O)(=O)C)CCOS(=O)(=O)C
InChI
InChI=1S/C11H26N2O6S2/c1-12(8-10-18-20(3,14)15)6-5-7-13(2)9-11-19-21(4,16)17/h5-11H2,1-4H3
InChIKey
LPNUWDZEIOKEFP-UHFFFAOYSA-N
Compound name
2-[methyl-[3-[methyl(2-methylsulfonyloxyethyl)amino]propyl]amino]ethyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.12323 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.13051 177.8
[M+Na]+ 369.11245 181.1
[M-H]- 345.11595 179.0
[M+NH4]+ 364.15705 191.4
[M+K]+ 385.08639 180.3
[M+H-H2O]+ 329.12049 170.1
[M+HCOO]- 391.12143 190.1
[M+CH3COO]- 405.13708 216.2
[M+Na-2H]- 367.09790 179.7
[M]+ 346.12268 188.5
[M]- 346.12378 188.5
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.