CID 77122

Octadecanamide, n-[2-[(2-aminoethyl)amino]ethyl]-

Structural Information

Molecular Formula
C22H47N3O
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCNCCN
InChI
InChI=1S/C22H47N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)25-21-20-24-19-18-23/h24H,2-21,23H2,1H3,(H,25,26)
InChIKey
BAFIQDJKGKANJI-UHFFFAOYSA-N
Compound name
N-[2-(2-aminoethylamino)ethyl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

101
Patents

369.37192 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.37920 202.0
[M+Na]+ 392.36114 199.9
[M-H]- 368.36464 198.6
[M+NH4]+ 387.40574 213.1
[M+K]+ 408.33508 195.7
[M+H-H2O]+ 352.36918 193.0
[M+HCOO]- 414.37012 222.3
[M+CH3COO]- 428.38577 230.7
[M+Na-2H]- 390.34659 199.3
[M]+ 369.37137 205.8
[M]- 369.37247 205.8
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