CID 462486

N,o-didecanoyl serinal dimethylacetal

Structural Information

Molecular Formula
C25H49NO5
SMILES
CCCCCCCCCC(=O)NC(COC(=O)CCCCCCCCC)C(OC)OC
InChI
InChI=1S/C25H49NO5/c1-5-7-9-11-13-15-17-19-23(27)26-22(25(29-3)30-4)21-31-24(28)20-18-16-14-12-10-8-6-2/h22,25H,5-21H2,1-4H3,(H,26,27)
InChIKey
JPRCAMOWTILLSU-UHFFFAOYSA-N
Compound name
[2-(decanoylamino)-3,3-dimethoxypropyl] decanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

22
Patents

443.36108 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.36836 226.7
[M+Na]+ 466.35030 235.6
[M-H]- 442.35380 220.8
[M+NH4]+ 461.39490 231.9
[M+K]+ 482.32424 232.1
[M+H-H2O]+ 426.35834 213.3
[M+HCOO]- 488.35928 230.0
[M+CH3COO]- 502.37493 238.4
[M+Na-2H]- 464.33575 215.7
[M]+ 443.36053 225.7
[M]- 443.36163 225.7
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.