CID 171119570

Cer(t18:1(6oh)/26:0(2oh))

Structural Information

Molecular Formula
C44H87NO5
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)N[C@@H](CO)[C@@H](/C=C/[C@@H](CCCCCCCCCCCC)O)O)O
InChI
InChI=1S/C44H87NO5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-43(49)44(50)45-41(39-46)42(48)38-37-40(47)35-33-31-29-27-14-12-10-8-6-4-2/h37-38,40-43,46-49H,3-36,39H2,1-2H3,(H,45,50)/b38-37+/t40-,41+,42-,43?/m1/s1
InChIKey
DXBVMKRDWGCKCM-ZVPYVXFLSA-N
Compound name
2-hydroxy-N-[(E,2S,3R,6R)-1,3,6-trihydroxyoctadec-4-en-2-yl]hexacosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

709.65845 Da
Monoisotopic Mass

16.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 710.66573 284.7
[M+Na]+ 732.64767 286.6
[M-H]- 708.65117 271.4
[M+NH4]+ 727.69227 281.7
[M+K]+ 748.62161 291.8
[M+H-H2O]+ 692.65571 280.3
[M+HCOO]- 754.65665 271.3
[M+CH3COO]- 768.67230 282.5
[M+Na-2H]- 730.63312 263.4
[M]+ 709.65790 278.1
[M]- 709.65900 278.1
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.