CID 131802514

Dg(i-17:0/21:0/0:0)

Structural Information

Molecular Formula
C41H80O5
SMILES
CCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C41H80O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-26-29-32-35-41(44)46-39(36-42)37-45-40(43)34-31-28-25-22-20-17-18-21-24-27-30-33-38(2)3/h38-39,42H,4-37H2,1-3H3/t39-/m0/s1
InChIKey
SCSNKYAJZFXTTJ-KDXMTYKHSA-N
Compound name
[(2S)-1-hydroxy-3-(15-methylhexadecanoyloxy)propan-2-yl] henicosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

652.6006 Da
Monoisotopic Mass

17.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 653.60788 276.8
[M+Na]+ 675.58982 276.7
[M+NH4]+ 670.63442 278.2
[M+K]+ 691.56376 277.4
[M-H]- 651.59332 261.5
[M+Na-2H]- 673.57527 274.1
[M]+ 652.60005 272.9
[M]- 652.60115 272.9
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.