CID 105310

Dtxsid2070423

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 233.0
[M+Na]+ 439.35064 236.9
[M-H]- 415.35414 223.8
[M+NH4]+ 434.39524 228.6
[M+K]+ 455.32458 235.1
[M+H-H2O]+ 399.35868 219.6
[M+HCOO]- 461.35962 241.2
[M+CH3COO]- 475.37527 222.4
[M+Na-2H]- 437.33609 217.7
[M]+ 416.36087 226.2
[M]- 416.36197 226.2
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.