CID 131802887

Dg(a-25:0/a-17:0/0:0)

Structural Information

Molecular Formula
C45H88O5
SMILES
CCC(C)CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC(C)CC
InChI
InChI=1S/C45H88O5/c1-5-41(3)35-31-27-23-19-15-13-11-9-7-8-10-12-14-16-21-25-29-33-37-44(47)49-40-43(39-46)50-45(48)38-34-30-26-22-18-17-20-24-28-32-36-42(4)6-2/h41-43,46H,5-40H2,1-4H3/t41?,42?,43-/m0/s1
InChIKey
HUXJLQFYMVWGHQ-VFLVHKEISA-N
Compound name
[(2S)-3-hydroxy-2-(14-methylhexadecanoyloxy)propyl] 22-methyltetracosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

708.66315 Da
Monoisotopic Mass

18.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 709.67043 290.5
[M+Na]+ 731.65237 290.0
[M+NH4]+ 726.69697 292.6
[M+K]+ 747.62631 291.6
[M-H]- 707.65587 275.2
[M+Na-2H]- 729.63782 286.9
[M]+ 708.66260 286.7
[M]- 708.66370 286.7
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.