CID 170454397

[(2s)-2-[2-[[(2s)-1-hydroxybutan-2-yl]amino]ethylamino]butyl] hydrogen sulfate

Structural Information

Molecular Formula
C10H24N2O5S
SMILES
CC[C@@H](CO)NCCN[C@@H](CC)COS(=O)(=O)O
InChI
InChI=1S/C10H24N2O5S/c1-3-9(7-13)11-5-6-12-10(4-2)8-17-18(14,15)16/h9-13H,3-8H2,1-2H3,(H,14,15,16)/t9-,10-/m0/s1
InChIKey
DAVKBYLGTFCITI-UWVGGRQHSA-N
Compound name
[(2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butyl] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1406 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.147876 164.0
[M+Na]+ 307.129818 166.3
[M-H]- 283.133324 160.3
[M+NH4]+ 302.174423 177.6
[M+K]+ 323.103758 164.5
[M+H-H2O]+ 267.137860 157.4
[M+HCOO]- 329.138801 177.7
[M+CH3COO]- 343.154451 198.6
[M+Na-2H]- 305.115266 164.6
[M]+ 284.14005142 167.1
[M]- 284.14114858 167.1
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.