CID 105310

66161-68-0

Structural Information

Molecular Formula
C23H48N2O4
SMILES
CCCCCCCCCCCCCCCC(=O)NCCC[N+](CCO)(CCO)[O-]
InChI
InChI=1S/C23H48N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-23(28)24-17-15-18-25(29,19-21-26)20-22-27/h26-27H,2-22H2,1H3,(H,24,28)
InChIKey
FIUMCQDPWSKKHO-UHFFFAOYSA-N
Compound name
3-(hexadecanoylamino)-N,N-bis(2-hydroxyethyl)propan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.36142 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.36870 217.9
[M+Na]+ 439.35064 220.8
[M+NH4]+ 434.39524 223.7
[M+K]+ 455.32458 226.8
[M-H]- 415.35414 210.4
[M+Na-2H]- 437.33609 209.6
[M]+ 416.36087 217.1
[M]- 416.36197 217.1
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.