CID 70678792

Cer(t20:0/16:0)

Structural Information

Molecular Formula
C36H73NO4
SMILES
CCCCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCC)O)O
InChI
InChI=1S/C36H73NO4/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-34(39)36(41)33(32-38)37-35(40)31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h33-34,36,38-39,41H,3-32H2,1-2H3,(H,37,40)/t33-,34+,36-/m0/s1
InChIKey
PDRMZAIPYFJROJ-LFBNJJMOSA-N
Compound name
N-[(2S,3S,4R)-1,3,4-trihydroxyicosan-2-yl]hexadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

583.55396 Da
Monoisotopic Mass

13.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 584.56124 262.3
[M+Na]+ 606.54318 266.0
[M-H]- 582.54668 249.5
[M+NH4]+ 601.58778 259.0
[M+K]+ 622.51712 267.8
[M+H-H2O]+ 566.55122 259.1
[M+HCOO]- 628.55216 255.1
[M+CH3COO]- 642.56781 261.8
[M+Na-2H]- 604.52863 243.9
[M]+ 583.55341 256.7
[M]- 583.55451 256.7
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