CID 5283564

C16-ceramide

Structural Information

Molecular Formula
C34H67NO3
SMILES
CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCCC)O
InChI
InChI=1S/C34H67NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)32(31-36)35-34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,32-33,36-37H,3-26,28,30-31H2,1-2H3,(H,35,38)/b29-27+/t32-,33+/m0/s1
InChIKey
YDNKGFDKKRUKPY-TURZORIXSA-N
Compound name
N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]hexadecanamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

88
References

2065
Patents

537.5121 Da
Monoisotopic Mass

12.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 538.519376 253.1
[M+Na]+ 560.501318 258.9
[M-H]- 536.504824 240.1
[M+NH4]+ 555.545923 250.2
[M+K]+ 576.475258 258.8
[M+H-H2O]+ 520.509360 250.7
[M+HCOO]- 582.510301 251.6
[M+CH3COO]- 596.525951 254.8
[M+Na-2H]- 558.486766 236.6
[M]+ 537.51155142 248.6
[M]- 537.51264858 248.6
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