CID 171119541

Cer(t18:0/33:0(2oh))

Structural Information

Molecular Formula
C51H103NO5
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)N[C@@H](CO)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)O
InChI
InChI=1S/C51H103NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-37-39-41-43-45-49(55)51(57)52-47(46-53)50(56)48(54)44-42-40-38-36-34-16-14-12-10-8-6-4-2/h47-50,53-56H,3-46H2,1-2H3,(H,52,57)/t47-,48+,49?,50-/m0/s1
InChIKey
BZQYZHUSNGVTRR-XKBJISKMSA-N
Compound name
2-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

20.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 810.79088 308.6
[M+Na]+ 832.77282 308.9
[M-H]- 808.77632 291.9
[M+NH4]+ 827.81742 305.3
[M+K]+ 848.74676 317.3
[M+H-H2O]+ 792.78086 303.6
[M+HCOO]- 854.78180 291.8
[M+CH3COO]- 868.79745 301.6
[M+Na-2H]- 830.75827 284.2
[M]+ 809.78305 302.8
[M]- 809.78415 302.8
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.