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
2
Annotation Hits

536
References

2037
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 192.5
[M+Na]+ 364.28222 196.4
[M+NH4]+ 359.32682 195.5
[M+K]+ 380.25616 191.0
[M-H]- 340.28572 188.9
[M+Na-2H]- 362.26767 189.6
[M]+ 341.29245 191.3
[M]- 341.29355 191.3
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