CID 109148

68133-36-8

Structural Information

Molecular Formula
C41H79NO3
SMILES
CCCCCCCCCCCCCCCCCC1=NC(CO1)(CC)COC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C41H79NO3/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-42-41(6-3,37-44-39)38-45-40(43)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h4-38H2,1-3H3
InChIKey
RABTYWWXOMZNAP-UHFFFAOYSA-N
Compound name
(4-ethyl-2-heptadecyl-5H-1,3-oxazol-4-yl)methyl octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

633.606 Da
Monoisotopic Mass

17.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 634.61328 277.7
[M+Na]+ 656.59522 278.7
[M-H]- 632.59872 251.5
[M+NH4]+ 651.63982 270.5
[M+K]+ 672.56916 265.3
[M+H-H2O]+ 616.60326 266.8
[M+HCOO]- 678.60420 281.7
[M+CH3COO]- 692.61985 273.0
[M+Na-2H]- 654.58067 266.6
[M]+ 633.60545 270.9
[M]- 633.60655 270.9
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.