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]+ 346.274056 190.2
[M+Na]+ 368.255998 190.9
[M-H]- 344.259504 192.7
[M+NH4]+ 363.300603 201.4
[M+K]+ 384.229938 186.5
[M+H-H2O]+ 328.264040 180.1
[M+HCOO]- 390.264981 205.7
[M+CH3COO]- 404.280631 214.7
[M+Na-2H]- 366.241446 189.0
[M]+ 345.26623142 190.1
[M]- 345.26732858 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