CID 16727464

N,n'-bis[1-(methylsulfonylmethyl)propyl]ethane-1,2-diamine

Structural Information

Molecular Formula
C12H28N2O4S2
SMILES
CCC(CS(=O)(=O)C)NCCNC(CC)CS(=O)(=O)C
InChI
InChI=1S/C12H28N2O4S2/c1-5-11(9-19(3,15)16)13-7-8-14-12(6-2)10-20(4,17)18/h11-14H,5-10H2,1-4H3
InChIKey
AIGVXDMWBNPIFQ-UHFFFAOYSA-N
Compound name
N,N'-bis(1-methylsulfonylbutan-2-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.14905 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.15633 175.7
[M+Na]+ 351.13827 178.2
[M-H]- 327.14177 174.0
[M+NH4]+ 346.18287 188.9
[M+K]+ 367.11221 174.4
[M+H-H2O]+ 311.14631 168.7
[M+HCOO]- 373.14725 184.3
[M+CH3COO]- 387.16290 210.2
[M+Na-2H]- 349.12372 175.7
[M]+ 328.14850 180.3
[M]- 328.14960 180.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.