CID 162422410

Chebi:189081

Structural Information

Molecular Formula
C41H77NO7
SMILES
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)NC(=O)CCCCCCC/C=C\CCCCCCCC)O
InChI
InChI=1S/C41H77NO7/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-38(45)42-35(33-48-41-40(47)39(46)37(44)34-49-41)36(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,29,31,35-37,39-41,43-44,46-47H,3-16,19-28,30,32-34H2,1-2H3,(H,42,45)/b18-17-,31-29+/t35-,36+,37+,39-,40+,41+/m0/s1
InChIKey
DFXVGNVLVOXYBX-QTCJPVROSA-N
Compound name
(Z)-N-[(E,2S,3R)-3-hydroxy-1-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoctadec-4-en-2-yl]octadec-9-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

695.57 Da
Monoisotopic Mass

11.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 696.57728 275.2
[M+Na]+ 718.55922 279.3
[M-H]- 694.56272 266.2
[M+NH4]+ 713.60382 272.6
[M+K]+ 734.53316 279.7
[M+H-H2O]+ 678.56726 273.7
[M+HCOO]- 740.56820 279.0
[M+CH3COO]- 754.58385 278.1
[M+Na-2H]- 716.54467 255.1
[M]+ 695.56945 269.2
[M]- 695.57055 269.2
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.