CID 11735149

6,6'-dideoxy-6,6'-bis[(1-iminododecyl)amino]-alpha,alpha-trehalose

Structural Information

Molecular Formula
C36H70N4O9
SMILES
CCCCCCCCCCCC(=NC[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)CN=C(CCCCCCCCCCC)N)O)O)O)O)O)O)N
InChI
InChI=1S/C36H70N4O9/c1-3-5-7-9-11-13-15-17-19-21-27(37)39-23-25-29(41)31(43)33(45)35(47-25)49-36-34(46)32(44)30(42)26(48-36)24-40-28(38)22-20-18-16-14-12-10-8-6-4-2/h25-26,29-36,41-46H,3-24H2,1-2H3,(H2,37,39)(H2,38,40)/t25-,26-,29-,30-,31+,32+,33-,34-,35-,36-/m1/s1
InChIKey
XSZYSTVIVOGTQZ-UADUKJLGSA-N
Compound name
N'-[[(2R,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6R)-6-[(1-aminododecylideneamino)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]dodecanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

702.5143 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 703.52158 267.2
[M+Na]+ 725.50352 267.3
[M-H]- 701.50702 260.9
[M+NH4]+ 720.54812 263.1
[M+K]+ 741.47746 266.2
[M+H-H2O]+ 685.51156 254.7
[M+HCOO]- 747.51250 278.3
[M+CH3COO]- 761.52815 291.6
[M+Na-2H]- 723.48897 298.4
[M]+ 702.51375 277.7
[M]- 702.51485 277.7
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.