CID 56614248

Schembl8201133

Structural Information

Molecular Formula
C38H75NO8
SMILES
CCCCCCCCCCCCCCC[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCCCCC)O
InChI
InChI=1S/C38H75NO8/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-32(41)31(30-46-38-37(45)36(44)35(43)33(29-40)47-38)39-34(42)28-26-24-22-20-17-14-12-10-8-6-4-2/h31-33,35-38,40-41,43-45H,3-30H2,1-2H3,(H,39,42)/t31-,32+,33+,35+,36-,37+,38+/m0/s1
InChIKey
SCBSLJVBXYHZPZ-CQNPEPNESA-N
Compound name
N-[(2S,3R)-3-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]tetradecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

673.54926 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 674.55654 273.3
[M+Na]+ 696.53848 274.9
[M-H]- 672.54198 264.3
[M+NH4]+ 691.58308 268.8
[M+K]+ 712.51242 275.5
[M+H-H2O]+ 656.54652 270.7
[M+HCOO]- 718.54746 274.8
[M+CH3COO]- 732.56311 273.5
[M+Na-2H]- 694.52393 252.0
[M]+ 673.54871 266.5
[M]- 673.54981 266.5
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