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 201.8
[M+Na]+ 412.28222 202.4
[M-H]- 388.28572 204.2
[M+NH4]+ 407.32682 211.3
[M+K]+ 428.25616 198.3
[M+H-H2O]+ 372.29026 191.4
[M+HCOO]- 434.29120 216.8
[M+CH3COO]- 448.30685 223.8
[M+Na-2H]- 410.26767 198.9
[M]+ 389.29245 204.3
[M]- 389.29355 204.3
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.