CID 170583276

N-[(2s,3r)-1,3-dihydroxyoctadecan-2-yl]-34-hydroxytetratriacontanamide

Structural Information

Molecular Formula
C52H105NO4
SMILES
CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO)O
InChI
InChI=1S/C52H105NO4/c1-2-3-4-5-6-7-8-28-31-34-37-40-43-46-51(56)50(49-55)53-52(57)47-44-41-38-35-32-29-26-24-22-20-18-16-14-12-10-9-11-13-15-17-19-21-23-25-27-30-33-36-39-42-45-48-54/h50-51,54-56H,2-49H2,1H3,(H,53,57)/t50-,51+/m0/s1
InChIKey
SJONKIQMYYLYON-OKPYTHRESA-N
Compound name
N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]-34-hydroxytetratriacontanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

807.8044 Da
Monoisotopic Mass

21.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 808.81168 313.7
[M+Na]+ 830.79362 314.3
[M-H]- 806.79712 293.4
[M+NH4]+ 825.83822 308.7
[M+K]+ 846.76756 322.1
[M+H-H2O]+ 790.80166 308.4
[M+HCOO]- 852.80260 303.0
[M+CH3COO]- 866.81825 303.6
[M+Na-2H]- 828.77907 288.4
[M]+ 807.80385 308.3
[M]- 807.80495 308.3
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.