CID 171119500

Cer(d18:1(6oh)/33:0(33oh))

Structural Information

Molecular Formula
C51H101NO5
SMILES
CCCCCCCCCCCC[C@H](/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO)O)O
InChI
InChI=1S/C51H101NO5/c1-2-3-4-5-6-7-30-33-36-39-42-48(55)44-45-50(56)49(47-54)52-51(57)43-40-37-34-31-28-26-24-22-20-18-16-14-12-10-8-9-11-13-15-17-19-21-23-25-27-29-32-35-38-41-46-53/h44-45,48-50,53-56H,2-43,46-47H2,1H3,(H,52,57)/b45-44+/t48-,49+,50-/m1/s1
InChIKey
ZGTOLTJYCVWIHA-PZYMIMROSA-N
Compound name
33-hydroxy-N-[(E,2S,3R,6R)-1,3,6-trihydroxyoctadec-4-en-2-yl]tritriacontanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

807.768 Da
Monoisotopic Mass

19.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 808.77528 307.1
[M+Na]+ 830.75722 307.5
[M-H]- 806.76072 289.7
[M+NH4]+ 825.80182 302.5
[M+K]+ 846.73116 314.9
[M+H-H2O]+ 790.76526 301.6
[M+HCOO]- 852.76620 293.5
[M+CH3COO]- 866.78185 300.0
[M+Na-2H]- 828.74267 282.5
[M]+ 807.76745 300.8
[M]- 807.76855 300.8
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.