CID 171119578

Cer(t18:1(6oh)/30:0(2oh))

Structural Information

Molecular Formula
C48H95NO5
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)N[C@@H](CO)[C@@H](/C=C/[C@@H](CCCCCCCCCCCC)O)O)O
InChI
InChI=1S/C48H95NO5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-47(53)48(54)49-45(43-50)46(52)42-41-44(51)39-37-35-33-31-14-12-10-8-6-4-2/h41-42,44-47,50-53H,3-40,43H2,1-2H3,(H,49,54)/b42-41+/t44-,45+,46-,47?/m1/s1
InChIKey
MCBDEHPVWLYBDB-PQSWDWSTSA-N
Compound name
2-hydroxy-N-[(E,2S,3R,6R)-1,3,6-trihydroxyoctadec-4-en-2-yl]triacontanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

765.721 Da
Monoisotopic Mass

18.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 766.72828 296.8
[M+Na]+ 788.71022 298.1
[M-H]- 764.71372 282.0
[M+NH4]+ 783.75482 293.8
[M+K]+ 804.68416 304.9
[M+H-H2O]+ 748.71826 292.1
[M+HCOO]- 810.71920 281.9
[M+CH3COO]- 824.73485 292.9
[M+Na-2H]- 786.69567 274.0
[M]+ 765.72045 290.5
[M]- 765.72155 290.5
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.