CID 129318632

N,n-diethyl-2-(2-(2-ethyl-2-phenylbutanoyl)oxyethoxy)ethanamine oxide

Structural Information

Molecular Formula
C20H33NO4
SMILES
CCC(CC)(C1=CC=CC=C1)C(=O)OCCOCC[N+](CC)(CC)[O-]
InChI
InChI=1S/C20H33NO4/c1-5-20(6-2,18-12-10-9-11-13-18)19(22)25-17-16-24-15-14-21(23,7-3)8-4/h9-13H,5-8,14-17H2,1-4H3
InChIKey
BHNKAJAESZICSO-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[2-(2-ethyl-2-phenylbutanoyl)oxyethoxy]ethanamine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.24097 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.24825 189.7
[M+Na]+ 374.23019 192.0
[M-H]- 350.23369 191.8
[M+NH4]+ 369.27479 202.2
[M+K]+ 390.20413 185.3
[M+H-H2O]+ 334.23823 187.2
[M+HCOO]- 396.23917 208.9
[M+CH3COO]- 410.25482 209.9
[M+Na-2H]- 372.21564 195.5
[M]+ 351.24042 193.7
[M]- 351.24152 193.7
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

No patent data available for this compound.