CID 91666422

N-(11z)-icosenoylsphingosine

Structural Information

Molecular Formula
C38H73NO3
SMILES
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCCCC/C=C\CCCCCCCC)O
InChI
InChI=1S/C38H73NO3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-38(42)39-36(35-40)37(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18,31,33,36-37,40-41H,3-16,19-30,32,34-35H2,1-2H3,(H,39,42)/b18-17-,33-31+/t36-,37+/m0/s1
InChIKey
VJSANVIMIYPTLW-XXGFTFAKSA-N
Compound name
(Z)-N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]icos-11-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

591.559 Da
Monoisotopic Mass

14.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 592.56628 263.4
[M+Na]+ 614.54822 267.4
[M+NH4]+ 609.59282 262.8
[M+K]+ 630.52216 265.6
[M-H]- 590.55172 250.5
[M+Na-2H]- 612.53367 262.5
[M]+ 591.55845 260.2
[M]- 591.55955 260.2
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.