CID 171119521

Cer(d18:2/28:0(2oh))

Structural Information

Molecular Formula
C46H89NO4
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCC/C=C\CCC)O)O
InChI
InChI=1S/C46H89NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-45(50)46(51)47-43(42-48)44(49)40-38-36-34-32-30-28-16-14-12-10-8-6-4-2/h8,10,38,40,43-45,48-50H,3-7,9,11-37,39,41-42H2,1-2H3,(H,47,51)/b10-8-,40-38+/t43-,44+,45?/m0/s1
InChIKey
BNWNWQJYYNDNBN-ZJKXAANASA-N
Compound name
N-[(2S,3R,4E,14Z)-1,3-dihydroxyoctadeca-4,14-dien-2-yl]-2-hydroxyoctacosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

719.67914 Da
Monoisotopic Mass

17.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 720.68642 288.7
[M+Na]+ 742.66836 292.0
[M-H]- 718.67186 273.8
[M+NH4]+ 737.71296 285.9
[M+K]+ 758.64230 297.0
[M+H-H2O]+ 702.67640 284.6
[M+HCOO]- 764.67734 279.5
[M+CH3COO]- 778.69299 286.6
[M+Na-2H]- 740.65381 267.5
[M]+ 719.67859 282.8
[M]- 719.67969 282.8
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.