CID 104547

53620-54-5

Structural Information

Molecular Formula
C42H86N4O2
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C42H86N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(47)45-39-37-43-35-36-44-38-40-46-42(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h43-44H,3-40H2,1-2H3,(H,45,47)(H,46,48)
InChIKey
KWLJEKOMAZTKJG-UHFFFAOYSA-N
Compound name
N-[2-[2-[2-(octadecanoylamino)ethylamino]ethylamino]ethyl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

678.67505 Da
Monoisotopic Mass

14.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 679.68233 296.3
[M+Na]+ 701.66427 306.8
[M+NH4]+ 696.70887 297.3
[M+K]+ 717.63821 303.2
[M-H]- 677.66777 286.3
[M+Na-2H]- 699.64972 294.9
[M]+ 678.67450 295.4
[M]- 678.67560 295.4
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

patents stripe