CID 138961604

N-((2s,3r)-1,3-dihydroxydodecan-2-yl)tetradecanamide

Structural Information

Molecular Formula
C26H53NO3
SMILES
CCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CCCCCCCCC)O
InChI
InChI=1S/C26H53NO3/c1-3-5-7-9-11-12-13-14-16-18-20-22-26(30)27-24(23-28)25(29)21-19-17-15-10-8-6-4-2/h24-25,28-29H,3-23H2,1-2H3,(H,27,30)/t24-,25+/m0/s1
InChIKey
QEENFPVDWIXKIL-LOSJGSFVSA-N
Compound name
N-[(2S,3R)-1,3-dihydroxydodecan-2-yl]tetradecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.40256 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.40984 222.2
[M+Na]+ 450.39178 218.8
[M-H]- 426.39528 215.8
[M+NH4]+ 445.43638 225.0
[M+K]+ 466.36572 214.1
[M+H-H2O]+ 410.39982 213.8
[M+HCOO]- 472.40076 228.7
[M+CH3COO]- 486.41641 233.2
[M+Na-2H]- 448.37723 214.2
[M]+ 427.40201 227.9
[M]- 427.40311 227.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.