CID 78909

4'-(octyloxy)-3-piperidinopropiophenone hydrochloride

Structural Information

Molecular Formula
C22H35NO2
SMILES
CCCCCCCCOC1=CC=C(C=C1)C(=O)CCN2CCCCC2
InChI
InChI=1S/C22H35NO2/c1-2-3-4-5-6-10-19-25-21-13-11-20(12-14-21)22(24)15-18-23-16-8-7-9-17-23/h11-14H,2-10,15-19H2,1H3
InChIKey
HKNHIHUQENAJIO-UHFFFAOYSA-N
Compound name
1-(4-octoxyphenyl)-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

345.26678 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.27406 190.2
[M+Na]+ 368.25600 190.9
[M-H]- 344.25950 192.7
[M+NH4]+ 363.30060 201.4
[M+K]+ 384.22994 186.5
[M+H-H2O]+ 328.26404 180.1
[M+HCOO]- 390.26498 205.7
[M+CH3COO]- 404.28063 214.7
[M+Na-2H]- 366.24145 189.0
[M]+ 345.26623 190.1
[M]- 345.26733 190.1
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

patents stripe