CID 71768162

1-o-linoleoyl-n-acetylsphingosine

Structural Information

Molecular Formula
C38H69NO4
SMILES
CCCCCCCCCCCCC/C=C/[C@H]([C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)NC(=O)C)O
InChI
InChI=1S/C38H69NO4/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-38(42)43-34-36(39-35(3)40)37(41)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2/h12,14,18-19,30,32,36-37,41H,4-11,13,15-17,20-29,31,33-34H2,1-3H3,(H,39,40)/b14-12-,19-18-,32-30+/t36-,37+/m0/s1
InChIKey
GGAKJIWSJJGHDP-HLWMWBLXSA-N
Compound name
[(E,2S,3R)-2-acetamido-3-hydroxyoctadec-4-enyl] (9Z,12Z)-octadeca-9,12-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

603.52264 Da
Monoisotopic Mass

12.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 604.52992 262.9
[M+Na]+ 626.51186 267.3
[M+NH4]+ 621.55646 264.3
[M+K]+ 642.48580 266.0
[M-H]- 602.51536 252.9
[M+Na-2H]- 624.49731 263.1
[M]+ 603.52209 261.0
[M]- 603.52319 261.0
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.