CID 171119543

Cer(t18:0/34:0(2oh))

Structural Information

Molecular Formula
C52H105NO5
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)N[C@@H](CO)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)O
InChI
InChI=1S/C52H105NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-50(56)52(58)53-48(47-54)51(57)49(55)45-43-41-39-37-35-16-14-12-10-8-6-4-2/h48-51,54-57H,3-47H2,1-2H3,(H,53,58)/t48-,49+,50?,51-/m0/s1
InChIKey
IIQBXNZZMSGQCG-YPNTVTPUSA-N
Compound name
2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]tetratriacontanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

823.79926 Da
Monoisotopic Mass

21.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 824.80654 311.5
[M+Na]+ 846.78848 311.6
[M-H]- 822.79198 294.5
[M+NH4]+ 841.83308 308.2
[M+K]+ 862.76242 320.5
[M+H-H2O]+ 806.79652 306.4
[M+HCOO]- 868.79746 294.3
[M+CH3COO]- 882.81311 304.1
[M+Na-2H]- 844.77393 286.7
[M]+ 823.79871 305.8
[M]- 823.79981 305.8
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.