CID 70698931

Cer(d14:1/24:0)

Structural Information

Molecular Formula
C38H75NO3
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCC)O
InChI
InChI=1S/C38H75NO3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-38(42)39-36(35-40)37(41)33-31-29-27-25-12-10-8-6-4-2/h31,33,36-37,40-41H,3-30,32,34-35H2,1-2H3,(H,39,42)/b33-31+/t36-,37+/m0/s1
InChIKey
UVBMEPQTWFQHAF-NUKVNZTCSA-N
Compound name
N-[(E,2S,3R)-1,3-dihydroxytetradec-4-en-2-yl]tetracosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

593.5747 Da
Monoisotopic Mass

15.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 594.58198 266.5
[M+Na]+ 616.56392 271.6
[M-H]- 592.56742 252.0
[M+NH4]+ 611.60852 263.5
[M+K]+ 632.53786 273.2
[M+H-H2O]+ 576.57196 263.6
[M+HCOO]- 638.57290 263.5
[M+CH3COO]- 652.58855 266.0
[M+Na-2H]- 614.54937 248.2
[M]+ 593.57415 261.8
[M]- 593.57525 261.8
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.