CID 91666423

N-(11z)-icosenoylsphinganine

Structural Information

Molecular Formula
C38H75NO3
SMILES
CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCCCCCC/C=C\CCCCCCCC)O
InChI
InChI=1S/C38H75NO3/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/h17-18,36-37,40-41H,3-16,19-35H2,1-2H3,(H,39,42)/b18-17-/t36-,37+/m0/s1
InChIKey
PULBITQLTXYVQX-FMECKOKGSA-N
Compound name
(Z)-N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]icos-11-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

593.5747 Da
Monoisotopic Mass

14.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 594.58198 265.8
[M+Na]+ 616.56392 269.3
[M+NH4]+ 611.60852 265.3
[M+K]+ 632.53786 267.6
[M-H]- 592.56742 252.1
[M+Na-2H]- 614.54937 264.4
[M]+ 593.57415 262.4
[M]- 593.57525 262.4
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.