CID 84377

14351-40-7

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
2
Annotation Hits

0
References

2910
Patents

593.5747 Da
Monoisotopic Mass

16.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 594.58198 267.9
[M+Na]+ 616.56392 271.1
[M+NH4]+ 611.60852 267.9
[M+K]+ 632.53786 269.7
[M-H]- 592.56742 252.4
[M+Na-2H]- 614.54937 266.1
[M]+ 593.57415 264.2
[M]- 593.57525 264.2
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