CID 171119518

Cer(d18:2/26:0)

Structural Information

Molecular Formula
C44H85NO3
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCC/C=C\CCC)O
InChI
InChI=1S/C44H85NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-44(48)45-42(41-46)43(47)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h8,10,37,39,42-43,46-47H,3-7,9,11-36,38,40-41H2,1-2H3,(H,45,48)/b10-8-,39-37+/t42-,43+/m0/s1
InChIKey
BIXMPORZPDFABC-SDGKVETASA-N
Compound name
N-[(2S,3R,4E,14Z)-1,3-dihydroxyoctadeca-4,14-dien-2-yl]hexacosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

675.65295 Da
Monoisotopic Mass

17.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 676.66023 283.2
[M+Na]+ 698.64217 287.9
[M-H]- 674.64567 267.3
[M+NH4]+ 693.68677 280.4
[M+K]+ 714.61611 291.5
[M+H-H2O]+ 658.65021 279.8
[M+HCOO]- 720.65115 278.8
[M+CH3COO]- 734.66680 281.2
[M+Na-2H]- 696.62762 263.1
[M]+ 675.65240 278.2
[M]- 675.65350 278.2
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.