CID 468796

N-nonyl-n-[2,3,5,6-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hexyl]hexadecanamide

Structural Information

Molecular Formula
C37H73NO11
SMILES
CCCCCCCCCCCCCCCC(=O)N(CCCCCCCCC)CC(C(C(C(CO)O)OC1C(C(C(C(O1)CO)O)O)O)O)O
InChI
InChI=1S/C37H73NO11/c1-3-5-7-9-11-12-13-14-15-16-17-19-21-23-31(43)38(24-22-20-18-10-8-6-4-2)25-28(41)32(44)36(29(42)26-39)49-37-35(47)34(46)33(45)30(27-40)48-37/h28-30,32-37,39-42,44-47H,3-27H2,1-2H3
InChIKey
AWWFVAZIYYPTAG-UHFFFAOYSA-N
Compound name
N-nonyl-N-[2,3,5,6-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]hexadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

707.5184 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 708.52568 272.7
[M+Na]+ 730.50762 272.1
[M-H]- 706.51112 268.9
[M+NH4]+ 725.55222 270.3
[M+K]+ 746.48156 274.1
[M+H-H2O]+ 690.51566 269.7
[M+HCOO]- 752.51660 263.7
[M+CH3COO]- 766.53225 276.1
[M+Na-2H]- 728.49307 251.4
[M]+ 707.51785 265.4
[M]- 707.51895 265.4
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.