CID 171119529

Cer(d18:2/34:0(34oh))

Structural Information

Molecular Formula
C52H101NO4
SMILES
CCC/C=C\CCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO)O
InChI
InChI=1S/C52H101NO4/c1-2-3-4-5-6-7-8-28-31-34-37-40-43-46-51(56)50(49-55)53-52(57)47-44-41-38-35-32-29-26-24-22-20-18-16-14-12-10-9-11-13-15-17-19-21-23-25-27-30-33-36-39-42-45-48-54/h4-5,43,46,50-51,54-56H,2-3,6-42,44-45,47-49H2,1H3,(H,53,57)/b5-4-,46-43+/t50-,51+/m0/s1
InChIKey
WXGFMFGGMMPOTM-HZWBRLBPSA-N
Compound name
N-[(2S,3R,4E,14Z)-1,3-dihydroxyoctadeca-4,14-dien-2-yl]-34-hydroxytetratriacontanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

803.7731 Da
Monoisotopic Mass

20.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 804.78038 308.0
[M+Na]+ 826.76232 309.8
[M-H]- 802.76582 289.4
[M+NH4]+ 821.80692 303.6
[M+K]+ 842.73626 316.7
[M+H-H2O]+ 786.77036 302.8
[M+HCOO]- 848.77130 299.0
[M+CH3COO]- 862.78695 301.6
[M+Na-2H]- 824.74777 283.9
[M]+ 803.77255 302.2
[M]- 803.77365 302.2
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

No patent data available for this compound.