CID 70698954

Cer(d16:2(4e,6e)/24:0)

Structural Information

Molecular Formula
C40H77NO3
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/C=C/CCCCCCCCC)O
InChI
InChI=1S/C40H77NO3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-36-40(44)41-38(37-42)39(43)35-33-31-29-27-25-14-12-10-8-6-4-2/h29,31,33,35,38-39,42-43H,3-28,30,32,34,36-37H2,1-2H3,(H,41,44)/b31-29+,35-33+/t38-,39+/m0/s1
InChIKey
ZYACUODQFDXZJK-WCQDKGKNSA-N
Compound name
N-[(2S,3R,4E,6E)-1,3-dihydroxyhexadeca-4,6-dien-2-yl]tetracosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

619.59033 Da
Monoisotopic Mass

15.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 620.59761 270.4
[M+Na]+ 642.57955 275.8
[M-H]- 618.58305 256.0
[M+NH4]+ 637.62415 267.7
[M+K]+ 658.55349 277.8
[M+H-H2O]+ 602.58759 267.4
[M+HCOO]- 664.58853 267.5
[M+CH3COO]- 678.60418 270.3
[M+Na-2H]- 640.56500 251.9
[M]+ 619.58978 265.4
[M]- 619.59088 265.4
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.