CID 109124

61702-61-2

Structural Information

Molecular Formula
C42H84N2O2
SMILES
CCCCCCCCCCCCCCCCCC(=O)N(CC)CCN(CC)C(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C42H84N2O2/c1-5-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-41(45)43(7-3)39-40-44(8-4)42(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-6-2/h5-40H2,1-4H3
InChIKey
SBNDFCBFYATLME-UHFFFAOYSA-N
Compound name
N-ethyl-N-[2-[ethyl(octadecanoyl)amino]ethyl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

648.65326 Da
Monoisotopic Mass

16.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 649.66054 288.9
[M+Na]+ 671.64248 294.2
[M+NH4]+ 666.68708 291.9
[M+K]+ 687.61642 292.7
[M-H]- 647.64598 275.9
[M+Na-2H]- 669.62793 287.0
[M]+ 648.65271 286.8
[M]- 648.65381 286.8
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