CID 105309

Dtxsid7070422

Structural Information

Molecular Formula
C21H44N2O4
SMILES
CCCCCCCCCCCCCC(=O)NCCC[N+](CCO)(CCO)[O-]
InChI
InChI=1S/C21H44N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-14-21(26)22-15-13-16-23(27,17-19-24)18-20-25/h24-25H,2-20H2,1H3,(H,22,26)
InChIKey
LUYHCRSSXDZZMO-UHFFFAOYSA-N
Compound name
N,N-bis(2-hydroxyethyl)-3-(tetradecanoylamino)propan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.3301 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.33738 225.7
[M+Na]+ 411.31932 230.0
[M-H]- 387.32282 217.2
[M+NH4]+ 406.36392 221.3
[M+K]+ 427.29326 227.3
[M+H-H2O]+ 371.32736 212.5
[M+HCOO]- 433.32830 234.7
[M+CH3COO]- 447.34395 216.5
[M+Na-2H]- 409.30477 211.3
[M]+ 388.32955 219.1
[M]- 388.33065 219.1
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.