CID 171119517

Cer(d18:2/26:0(2oh))

Structural Information

Molecular Formula
C44H85NO4
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCC/C=C\CCC)O)O
InChI
InChI=1S/C44H85NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-43(48)44(49)45-41(40-46)42(47)38-36-34-32-30-28-26-16-14-12-10-8-6-4-2/h8,10,36,38,41-43,46-48H,3-7,9,11-35,37,39-40H2,1-2H3,(H,45,49)/b10-8-,38-36+/t41-,42+,43?/m0/s1
InChIKey
DXMGYIZMJNLAHI-JJDLBEETSA-N
Compound name
N-[(2S,3R,4E,14Z)-1,3-dihydroxyoctadeca-4,14-dien-2-yl]-2-hydroxyhexacosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

691.6479 Da
Monoisotopic Mass

16.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 692.65518 282.5
[M+Na]+ 714.63712 286.1
[M-H]- 690.64062 268.3
[M+NH4]+ 709.68172 279.7
[M+K]+ 730.61106 290.3
[M+H-H2O]+ 674.64516 278.7
[M+HCOO]- 736.64610 274.0
[M+CH3COO]- 750.66175 281.2
[M+Na-2H]- 712.62257 262.1
[M]+ 691.64735 276.5
[M]- 691.64845 276.5
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.