CID 109124

Einecs 262-923-7

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 289.8
[M+Na]+ 671.64248 300.2
[M-H]- 647.64598 278.5
[M+NH4]+ 666.68708 295.8
[M+K]+ 687.61642 302.8
[M+H-H2O]+ 631.65052 290.5
[M+HCOO]- 693.65146 287.6
[M+CH3COO]- 707.66711 290.5
[M+Na-2H]- 669.62793 273.1
[M]+ 648.65271 287.7
[M]- 648.65381 287.7
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