CID 5497136

N-acetylsphingosine

Structural Information

Molecular Formula
C20H39NO3
SMILES
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)C)O
InChI
InChI=1S/C20H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(24)19(17-22)21-18(2)23/h15-16,19-20,22,24H,3-14,17H2,1-2H3,(H,21,23)/b16-15+/t19-,20+/m0/s1
InChIKey
BLTCBVOJNNKFKC-QUDYQQOWSA-N
Compound name
N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

536
References

2210
Patents

341.293 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.30028 195.0
[M+Na]+ 364.28222 194.6
[M-H]- 340.28572 190.0
[M+NH4]+ 359.32682 206.7
[M+K]+ 380.25616 190.7
[M+H-H2O]+ 324.29026 187.8
[M+HCOO]- 386.29120 210.3
[M+CH3COO]- 400.30685 214.3
[M+Na-2H]- 362.26767 190.1
[M]+ 341.29245 197.7
[M]- 341.29355 197.7
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

patents stripe