CID 77658

N-stearoyltetraethylenetetramine

Structural Information

Molecular Formula
C26H57N5O
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCNCCNCCNCCN
InChI
InChI=1S/C26H57N5O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(32)31-25-24-30-23-22-29-21-20-28-19-18-27/h28-30H,2-25,27H2,1H3,(H,31,32)
InChIKey
MSDNZILMCJTFIJ-UHFFFAOYSA-N
Compound name
N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

33
Patents

455.4563 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.46358 218.8
[M+Na]+ 478.44552 213.3
[M-H]- 454.44902 214.5
[M+NH4]+ 473.49012 252.3
[M+K]+ 494.41946 208.8
[M+H-H2O]+ 438.45356 208.0
[M+HCOO]- 500.45450 259.5
[M+CH3COO]- 514.47015 252.7
[M+Na-2H]- 476.43097 215.4
[M]+ 455.45575 222.4
[M]- 455.45685 222.4
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