CID 3056399

73771-25-2

Structural Information

Molecular Formula
C16H30N2O10
SMILES
C1CN(CCN1C2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C16H30N2O10/c19-5-7-9(21)11(23)13(25)15(27-7)17-1-2-18(4-3-17)16-14(26)12(24)10(22)8(6-20)28-16/h7-16,19-26H,1-6H2/t7-,8-,9-,10-,11+,12+,13-,14-,15?,16?/m1/s1
InChIKey
AAHLQODCOIMLFS-CNMPHPJXSA-N
Compound name
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]piperazin-1-yl]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

410.19003 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.19731 196.9
[M+Na]+ 433.17925 201.0
[M+NH4]+ 428.22385 197.1
[M+K]+ 449.15319 203.2
[M-H]- 409.18275 196.5
[M+Na-2H]- 431.16470 190.8
[M]+ 410.18948 196.3
[M]- 410.19058 196.3
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

patents stripe