CID 3038722

Propiophenone, 4'-(2-(2-ethoxyethoxy)ethoxy)-3'-ethyl-3-piperidino-, hydrochloride

Structural Information

Molecular Formula
C22H35NO4
SMILES
CCC1=C(C=CC(=C1)C(=O)CCN2CCCCC2)OCCOCCOCC
InChI
InChI=1S/C22H35NO4/c1-3-19-18-20(21(24)10-13-23-11-6-5-7-12-23)8-9-22(19)27-17-16-26-15-14-25-4-2/h8-9,18H,3-7,10-17H2,1-2H3
InChIKey
HXXGMXXLLGLIKP-UHFFFAOYSA-N
Compound name
1-[4-[2-(2-ethoxyethoxy)ethoxy]-3-ethylphenyl]-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.25662 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.26390 195.7
[M+Na]+ 400.24584 197.0
[M-H]- 376.24934 198.5
[M+NH4]+ 395.29044 205.6
[M+K]+ 416.21978 194.0
[M+H-H2O]+ 360.25388 185.4
[M+HCOO]- 422.25482 211.5
[M+CH3COO]- 436.27047 219.9
[M+Na-2H]- 398.23129 193.9
[M]+ 377.25607 198.8
[M]- 377.25717 198.8
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.