CID 3038649

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

Structural Information

Molecular Formula
C23H37NO3
SMILES
CCCCCOCCOC1=C(C=C(C=C1)C(=O)CCN2CCCCC2)CC
InChI
InChI=1S/C23H37NO3/c1-3-5-9-16-26-17-18-27-23-11-10-21(19-20(23)4-2)22(25)12-15-24-13-7-6-8-14-24/h10-11,19H,3-9,12-18H2,1-2H3
InChIKey
HVEUEEUTRHWJRE-UHFFFAOYSA-N
Compound name
1-[3-ethyl-4-(2-pentoxyethoxy)phenyl]-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.27734 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.28462 197.4
[M+Na]+ 398.26656 198.5
[M-H]- 374.27006 200.1
[M+NH4]+ 393.31116 207.5
[M+K]+ 414.24050 194.6
[M+H-H2O]+ 358.27460 187.2
[M+HCOO]- 420.27554 212.8
[M+CH3COO]- 434.29119 220.8
[M+Na-2H]- 396.25201 195.1
[M]+ 375.27679 199.5
[M]- 375.27789 199.5
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.