CID 84377

2-[(1-oxooctadecyl)amino]ethyl stearate

Structural Information

Molecular Formula
C38H75NO3
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCOC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C38H75NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(40)39-35-36-42-38(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3,(H,39,40)
InChIKey
ZAYHEMRDHPVMSC-UHFFFAOYSA-N
Compound name
2-(octadecanoylamino)ethyl octadecanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

3237
Patents

593.5747 Da
Monoisotopic Mass

16.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 594.581976 269.8
[M+Na]+ 616.563918 276.4
[M-H]- 592.567424 254.5
[M+NH4]+ 611.608523 269.8
[M+K]+ 632.537858 277.4
[M+H-H2O]+ 576.571960 268.7
[M+HCOO]- 638.572901 272.5
[M+CH3COO]- 652.588551 270.1
[M+Na-2H]- 614.549366 252.3
[M]+ 593.57415142 267.6
[M]- 593.57524858 267.6
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