CID 11016658

6,6'-dideoxy-6,6'-bis(1-hexylamino)-alpha,alpha-trehalose

Structural Information

Molecular Formula
C24H48N2O9
SMILES
CCCCCCNC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CNCCCCCC)O)O)O)O)O)O
InChI
InChI=1S/C24H48N2O9/c1-3-5-7-9-11-25-13-15-17(27)19(29)21(31)23(33-15)35-24-22(32)20(30)18(28)16(34-24)14-26-12-10-8-6-4-2/h15-32H,3-14H2,1-2H3/t15-,16-,17-,18-,19+,20+,21-,22-,23-,24-/m1/s1
InChIKey
OAOSVRDRMKIMIR-FXPCSOOLSA-N
Compound name
(2R,3S,4S,5R,6R)-2-[(hexylamino)methyl]-6-[(2R,3R,4S,5S,6R)-6-[(hexylamino)methyl]-3,4,5-trihydroxyoxan-2-yl]oxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

508.33597 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.34325 227.3
[M+Na]+ 531.32519 224.9
[M-H]- 507.32869 225.0
[M+NH4]+ 526.36979 226.9
[M+K]+ 547.29913 223.9
[M+H-H2O]+ 491.33323 218.2
[M+HCOO]- 553.33417 231.9
[M+CH3COO]- 567.34982 243.6
[M+Na-2H]- 529.31064 220.4
[M]+ 508.33542 226.8
[M]- 508.33652 226.8
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.