CID 108699

55349-70-7

Structural Information

Molecular Formula
C40H79NO4
SMILES
CCCCCCCCCCCCCCCCCC(=O)N(CCO)CCOC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C40H79NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(43)41(35-37-42)36-38-45-40(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h42H,3-38H2,1-2H3
InChIKey
ZRWKXALQNLDUSY-UHFFFAOYSA-N
Compound name
2-[2-hydroxyethyl(octadecanoyl)amino]ethyl octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

637.6009 Da
Monoisotopic Mass

15.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 638.60818 277.6
[M+Na]+ 660.59012 280.3
[M+NH4]+ 655.63472 279.0
[M+K]+ 676.56406 279.7
[M-H]- 636.59362 263.1
[M+Na-2H]- 658.57557 275.5
[M]+ 637.60035 274.4
[M]- 637.60145 274.4
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

No patent data available for this compound.