CID 70698933

Cer(d14:1/26:0)

Structural Information

Molecular Formula
C40H79NO3
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCC)O
InChI
InChI=1S/C40H79NO3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-40(44)41-38(37-42)39(43)35-33-31-29-27-12-10-8-6-4-2/h33,35,38-39,42-43H,3-32,34,36-37H2,1-2H3,(H,41,44)/b35-33+/t38-,39+/m0/s1
InChIKey
ASKHOXZWEDLQAR-GLQCRSEXSA-N
Compound name
N-[(E,2S,3R)-1,3-dihydroxytetradec-4-en-2-yl]hexacosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

621.606 Da
Monoisotopic Mass

16.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 622.61328 273.1
[M+Na]+ 644.59522 277.8
[M-H]- 620.59872 257.8
[M+NH4]+ 639.63982 270.0
[M+K]+ 660.56916 280.2
[M+H-H2O]+ 604.60326 270.0
[M+HCOO]- 666.60420 269.3
[M+CH3COO]- 680.61985 271.5
[M+Na-2H]- 642.58067 254.0
[M]+ 621.60545 268.2
[M]- 621.60655 268.2
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.