CID 3023251

2-(acetyl(2-((1-oxohexadecyl)amino)ethyl)amino)ethyl acetate

Structural Information

Molecular Formula
C24H46N2O4
SMILES
CCCCCCCCCCCCCCCC(=O)NCCN(CCOC(=O)C)C(=O)C
InChI
InChI=1S/C24H46N2O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)25-18-19-26(22(2)27)20-21-30-23(3)28/h4-21H2,1-3H3,(H,25,29)
InChIKey
WQSCZRSBIWNPKF-UHFFFAOYSA-N
Compound name
2-[acetyl-[2-(hexadecanoylamino)ethyl]amino]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.34576 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.353036 217.3
[M+Na]+ 449.334978 240.1
[M-H]- 425.338484 225.2
[M+NH4]+ 444.379583 234.0
[M+K]+ 465.308918 214.0
[M+H-H2O]+ 409.343020 208.3
[M+HCOO]- 471.343961 232.1
[M+CH3COO]- 485.359611 239.8
[M+Na-2H]- 447.320426 211.2
[M]+ 426.34521142 225.6
[M]- 426.34630858 225.6
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.