CID 171119544

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

Structural Information

Molecular Formula
C52H105NO5
SMILES
CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO)O)O
InChI
InChI=1S/C52H105NO5/c1-2-3-4-5-6-7-8-30-33-36-39-42-45-50(56)52(58)49(48-55)53-51(57)46-43-40-37-34-31-28-26-24-22-20-18-16-14-12-10-9-11-13-15-17-19-21-23-25-27-29-32-35-38-41-44-47-54/h49-50,52,54-56,58H,2-48H2,1H3,(H,53,57)/t49-,50+,52-/m0/s1
InChIKey
BJWBZPSHYGVEKV-FIURKFKLSA-N
Compound name
34-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

20.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 824.80654 313.0
[M+Na]+ 846.78848 312.6
[M-H]- 822.79198 294.4
[M+NH4]+ 841.83308 308.1
[M+K]+ 862.76242 320.9
[M+H-H2O]+ 806.79652 307.3
[M+HCOO]- 868.79746 298.2
[M+CH3COO]- 882.81311 303.5
[M+Na-2H]- 844.77393 287.4
[M]+ 823.79871 307.0
[M]- 823.79981 307.0
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.