CID 171119527

Cer(d18:2/32:0(32oh))

Structural Information

Molecular Formula
C50H97NO4
SMILES
CCC/C=C\CCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO)O
InChI
InChI=1S/C50H97NO4/c1-2-3-4-5-6-7-8-26-29-32-35-38-41-44-49(54)48(47-53)51-50(55)45-42-39-36-33-30-27-24-22-20-18-16-14-12-10-9-11-13-15-17-19-21-23-25-28-31-34-37-40-43-46-52/h4-5,41,44,48-49,52-54H,2-3,6-40,42-43,45-47H2,1H3,(H,51,55)/b5-4-,44-41+/t48-,49+/m0/s1
InChIKey
LYZGEOYYALXCPD-IGZAVHQFSA-N
Compound name
N-[(2S,3R,4E,14Z)-1,3-dihydroxyoctadeca-4,14-dien-2-yl]-32-hydroxydotriacontanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

775.74176 Da
Monoisotopic Mass

19.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 776.74904 302.1
[M+Na]+ 798.73098 304.2
[M-H]- 774.73448 284.2
[M+NH4]+ 793.77558 297.7
[M+K]+ 814.70492 310.3
[M+H-H2O]+ 758.73902 297.1
[M+HCOO]- 820.73996 293.8
[M+CH3COO]- 834.75561 296.4
[M+Na-2H]- 796.71643 278.7
[M]+ 775.74121 296.2
[M]- 775.74231 296.2
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.