CID 171119525

Cer(d18:2/30:0)

Structural Information

Molecular Formula
C48H93NO3
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCC/C=C\CCC)O
InChI
InChI=1S/C48H93NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-48(52)49-46(45-50)47(51)43-41-39-37-35-33-31-16-14-12-10-8-6-4-2/h8,10,41,43,46-47,50-51H,3-7,9,11-40,42,44-45H2,1-2H3,(H,49,52)/b10-8-,43-41+/t46-,47+/m0/s1
InChIKey
AGIVWEVCVGCEIR-LHBBTWCESA-N
Compound name
N-[(2S,3R,4E,14Z)-1,3-dihydroxyoctadeca-4,14-dien-2-yl]triacontanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

731.7156 Da
Monoisotopic Mass

19.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 732.72288 295.7
[M+Na]+ 754.70482 299.6
[M-H]- 730.70832 278.2
[M+NH4]+ 749.74942 292.8
[M+K]+ 770.67876 304.9
[M+H-H2O]+ 714.71286 291.8
[M+HCOO]- 776.71380 289.8
[M+CH3COO]- 790.72945 291.9
[M+Na-2H]- 752.69027 274.0
[M]+ 731.71505 290.7
[M]- 731.71615 290.7
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.