CID 104023

51946-06-6

Structural Information

Molecular Formula
C44H91N5O2
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C44H91N5O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(50)48-41-39-46-37-35-45-36-38-47-40-42-49-44(51)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h45-47H,3-42H2,1-2H3,(H,48,50)(H,49,51)
InChIKey
WHUNDDWVZDKWHZ-UHFFFAOYSA-N
Compound name
N-[2-[2-[2-[2-(octadecanoylamino)ethylamino]ethylamino]ethylamino]ethyl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

721.7173 Da
Monoisotopic Mass

14.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 722.72458 307.2
[M+Na]+ 744.70652 319.9
[M+NH4]+ 739.75112 308.7
[M+K]+ 760.68046 316.0
[M-H]- 720.71002 299.0
[M+Na-2H]- 742.69197 305.9
[M]+ 721.71675 307.3
[M]- 721.71785 307.3
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