CID 3038647

4'-(2-butoxyethoxy)-3'-ethyl-3-piperidinopropiophenone hydrochloride

Structural Information

Molecular Formula
C22H35NO3
SMILES
CCCCOCCOC1=C(C=C(C=C1)C(=O)CCN2CCCCC2)CC
InChI
InChI=1S/C22H35NO3/c1-3-5-15-25-16-17-26-22-10-9-20(18-19(22)4-2)21(24)11-14-23-12-7-6-8-13-23/h9-10,18H,3-8,11-17H2,1-2H3
InChIKey
WWKFOSUOGWGVDO-UHFFFAOYSA-N
Compound name
1-[4-(2-butoxyethoxy)-3-ethylphenyl]-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.2617 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.26898 193.0
[M+Na]+ 384.25092 194.5
[M-H]- 360.25442 195.8
[M+NH4]+ 379.29552 203.7
[M+K]+ 400.22486 190.8
[M+H-H2O]+ 344.25896 183.0
[M+HCOO]- 406.25990 208.7
[M+CH3COO]- 420.27555 217.9
[M+Na-2H]- 382.23637 191.2
[M]+ 361.26115 194.7
[M]- 361.26225 194.7
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.