CID 105799

67846-22-4

Structural Information

Molecular Formula
C27H57N2O
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC
InChI
InChI=1S/C27H56N2O/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(30)28-25-23-26-29(3,4)6-2/h5-26H2,1-4H3/p+1
InChIKey
WIOFDNSURDFMLI-UHFFFAOYSA-O
Compound name
ethyl-[3-(icosanoylamino)propyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

425.44708 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.45436 218.4
[M+Na]+ 448.43630 224.9
[M+NH4]+ 443.48090 202.7
[M+K]+ 464.41024 241.8
[M-H]- 424.43980 219.4
[M+Na-2H]- 446.42175 218.3
[M]+ 425.44653 219.7
[M]- 425.44763 219.7
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