CID 207466

3'-ethyl-3-(4-methylpiperidino)-4'-propoxy-propiophenone hydrochloride

Structural Information

Molecular Formula
C20H31NO2
SMILES
CCCOC1=C(C=C(C=C1)C(=O)CCN2CCC(CC2)C)CC
InChI
InChI=1S/C20H31NO2/c1-4-14-23-20-7-6-18(15-17(20)5-2)19(22)10-13-21-11-8-16(3)9-12-21/h6-7,15-16H,4-5,8-14H2,1-3H3
InChIKey
SBOQCDYHDOBUDH-UHFFFAOYSA-N
Compound name
1-(3-ethyl-4-propoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.23547 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.242746 180.8
[M+Na]+ 340.224688 184.3
[M-H]- 316.228194 184.5
[M+NH4]+ 335.269293 193.8
[M+K]+ 356.198628 180.5
[M+H-H2O]+ 300.232730 171.7
[M+HCOO]- 362.233671 197.0
[M+CH3COO]- 376.249321 211.2
[M+Na-2H]- 338.210136 179.3
[M]+ 317.23492142 180.8
[M]- 317.23601858 180.8
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.