CID 171119542

Cer(t18:0/33:0(33oh))

Structural Information

Molecular Formula
C51H103NO5
SMILES
CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO)O)O
InChI
InChI=1S/C51H103NO5/c1-2-3-4-5-6-7-8-29-32-35-38-41-44-49(55)51(57)48(47-54)52-50(56)45-42-39-36-33-30-27-25-23-21-19-17-15-13-11-9-10-12-14-16-18-20-22-24-26-28-31-34-37-40-43-46-53/h48-49,51,53-55,57H,2-47H2,1H3,(H,52,56)/t48-,49+,51-/m0/s1
InChIKey
ZWPDDZBUKIHUEA-CYNDXWADSA-N
Compound name
33-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]tritriacontanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

809.7836 Da
Monoisotopic Mass

19.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 810.79088 310.1
[M+Na]+ 832.77282 309.8
[M-H]- 808.77632 291.9
[M+NH4]+ 827.81742 305.1
[M+K]+ 848.74676 317.7
[M+H-H2O]+ 792.78086 304.4
[M+HCOO]- 854.78180 295.6
[M+CH3COO]- 868.79745 301.0
[M+Na-2H]- 830.75827 284.9
[M]+ 809.78305 304.0
[M]- 809.78415 304.0
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.