CID 468795

N-tetradecylamino-1-deoxylactitol

Structural Information

Molecular Formula
C26H53NO10
SMILES
CCCCCCCCCCCCCCNCC(C(C(C(CO)O)OC1C(C(C(C(O1)CO)O)O)O)O)O
InChI
InChI=1S/C26H53NO10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-27-15-18(30)21(32)25(19(31)16-28)37-26-24(35)23(34)22(33)20(17-29)36-26/h18-35H,2-17H2,1H3
InChIKey
YLFBIUIAZCAQIT-UHFFFAOYSA-N
Compound name
6-(tetradecylamino)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,4,5-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

539.36694 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 540.37422 237.3
[M+Na]+ 562.35616 236.5
[M-H]- 538.35966 233.0
[M+NH4]+ 557.40076 228.8
[M+K]+ 578.33010 233.5
[M+H-H2O]+ 522.36420 223.9
[M+HCOO]- 584.36514 235.0
[M+CH3COO]- 598.38079 241.6
[M+Na-2H]- 560.34161 220.8
[M]+ 539.36639 227.4
[M]- 539.36749 227.4
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.