CID 3038651

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

Structural Information

Molecular Formula
C24H39NO3
SMILES
CCCCCCOCCOC1=C(C=C(C=C1)C(=O)CCN2CCCCC2)CC
InChI
InChI=1S/C24H39NO3/c1-3-5-6-10-17-27-18-19-28-24-12-11-22(20-21(24)4-2)23(26)13-16-25-14-8-7-9-15-25/h11-12,20H,3-10,13-19H2,1-2H3
InChIKey
YHAQXCUIYHWQNY-UHFFFAOYSA-N
Compound name
1-[3-ethyl-4-(2-hexoxyethoxy)phenyl]-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.293 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.30028 201.9
[M+Na]+ 412.28222 211.7
[M+NH4]+ 407.32682 207.6
[M+K]+ 428.25616 203.2
[M-H]- 388.28572 204.3
[M+Na-2H]- 410.26767 205.5
[M]+ 389.29245 203.7
[M]- 389.29355 203.7
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.