CID 162422403

Chebi:189068

Structural Information

Molecular Formula
C24H45NO7
SMILES
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)NC=O)O
InChI
InChI=1S/C24H45NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(27)19(25-18-26)16-31-24-23(30)22(29)21(28)17-32-24/h14-15,18-24,27-30H,2-13,16-17H2,1H3,(H,25,26)/b15-14+/t19-,20+,21+,22-,23+,24+/m0/s1
InChIKey
VFBHIYHJKUAKLM-WSPPKIGHSA-N
Compound name
N-[(E,2S,3R)-3-hydroxy-1-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoctadec-4-en-2-yl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.3196 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.32688 217.3
[M+Na]+ 482.30882 219.2
[M+NH4]+ 477.35342 221.1
[M+K]+ 498.28276 216.2
[M-H]- 458.31232 214.4
[M+Na-2H]- 480.29427 211.6
[M]+ 459.31905 215.8
[M]- 459.32015 215.8
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.