CID 89271

20103-35-9

Structural Information

Molecular Formula
C40H77NO4
SMILES
CCCCCCCCCCCCCCCCCC1=NC(CO1)(CO)COC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C40H77NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38-41-40(35-42,36-44-38)37-45-39(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h42H,3-37H2,1-2H3
InChIKey
DWWUGXOZBYVGJN-UHFFFAOYSA-N
Compound name
[2-heptadecyl-4-(hydroxymethyl)-5H-1,3-oxazol-4-yl]methyl octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

635.58527 Da
Monoisotopic Mass

15.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 636.59255 262.2
[M+Na]+ 658.57449 263.0
[M+NH4]+ 653.61909 260.0
[M+K]+ 674.54843 262.8
[M-H]- 634.57799 244.3
[M+Na-2H]- 656.55994 259.8
[M]+ 635.58472 257.4
[M]- 635.58582 257.4
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

patents stripe