CID 70678855

Cer(d20:0/16:0)

Structural Information

Molecular Formula
C36H73NO3
SMILES
CCCCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCC)O
InChI
InChI=1S/C36H73NO3/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-35(39)34(33-38)37-36(40)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h34-35,38-39H,3-33H2,1-2H3,(H,37,40)/t34-,35+/m0/s1
InChIKey
RFPFMLYRFUPWOS-OIDHKYIRSA-N
Compound name
N-[(2S,3R)-1,3-dihydroxyicosan-2-yl]hexadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

567.559 Da
Monoisotopic Mass

14.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 568.56628 262.6
[M+Na]+ 590.54822 267.3
[M-H]- 566.55172 248.0
[M+NH4]+ 585.59282 259.3
[M+K]+ 606.52216 268.6
[M+H-H2O]+ 550.55626 259.8
[M+HCOO]- 612.55720 259.4
[M+CH3COO]- 626.57285 261.7
[M+Na-2H]- 588.53367 244.6
[M]+ 567.55845 258.1
[M]- 567.55955 258.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe