CID 3021155

87706-76-1

Structural Information

Molecular Formula
C20H44N4O
SMILES
CCCCCCCCCCCCCC(=O)NCCNCCNCCN
InChI
InChI=1S/C20H44N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(25)24-19-18-23-17-16-22-15-14-21/h22-23H,2-19,21H2,1H3,(H,24,25)
InChIKey
GTOFNQJLEKUFQP-UHFFFAOYSA-N
Compound name
N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]tetradecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.3515 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.35878 194.7
[M+Na]+ 379.34072 192.6
[M-H]- 355.34422 191.6
[M+NH4]+ 374.38532 205.9
[M+K]+ 395.31466 189.1
[M+H-H2O]+ 339.34876 185.4
[M+HCOO]- 401.34970 216.7
[M+CH3COO]- 415.36535 230.0
[M+Na-2H]- 377.32617 193.4
[M]+ 356.35095 196.9
[M]- 356.35205 196.9
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

No patent data available for this compound.