CID 3085907

N,n-bis(3-((pentadecanylcarbonyl)amino)propyl)methanamine oxide

Structural Information

Molecular Formula
C39H79N3O3
SMILES
CCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(CCCNC(=O)CCCCCCCCCCCCCCC)[O-]
InChI
InChI=1S/C39H79N3O3/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-32-38(43)40-34-30-36-42(3,45)37-31-35-41-39(44)33-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-37H2,1-3H3,(H,40,43)(H,41,44)
InChIKey
GNHNGGKTVOQTRI-UHFFFAOYSA-N
Compound name
3-(hexadecanoylamino)-N-[3-(hexadecanoylamino)propyl]-N-methylpropan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

637.6121 Da
Monoisotopic Mass

13.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 638.61938 294.1
[M+Na]+ 660.60132 299.2
[M-H]- 636.60482 283.7
[M+NH4]+ 655.64592 293.7
[M+K]+ 676.57526 303.3
[M+H-H2O]+ 620.60936 280.4
[M+HCOO]- 682.61030 295.8
[M+CH3COO]- 696.62595 275.8
[M+Na-2H]- 658.58677 273.8
[M]+ 637.61155 285.3
[M]- 637.61265 285.3
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.