CID 131751967

15-oleoylsolamin

Structural Information

Molecular Formula
C53H96O6
SMILES
CCCCCCCCCCCCC(C1CCC(O1)C(CCCCCCCCCCCCC2=CC(OC2=O)C)OC(=O)CCCCCCC/C=C/CCCCCCCC)O
InChI
InChI=1S/C53H96O6/c1-4-6-8-10-12-14-16-17-18-19-20-26-30-34-38-42-52(55)59-50(41-37-33-29-25-22-21-23-27-31-35-39-47-45-46(3)57-53(47)56)51-44-43-49(58-51)48(54)40-36-32-28-24-15-13-11-9-7-5-2/h17-18,45-46,48-51,54H,4-16,19-44H2,1-3H3/b18-17+
InChIKey
CYNQUXCKSVIOBA-ISLYRVAYSA-N
Compound name
[1-[5-(1-hydroxytridecyl)oxolan-2-yl]-13-(2-methyl-5-oxo-2H-furan-4-yl)tridecyl] (E)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

828.7207 Da
Monoisotopic Mass

19.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 829.72798 298.6
[M+Na]+ 851.70992 298.7
[M+NH4]+ 846.75452 296.5
[M+K]+ 867.68386 300.3
[M-H]- 827.71342 282.0
[M+Na-2H]- 849.69537 294.1
[M]+ 828.72015 294.5
[M]- 828.72125 294.5
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.