CID 114252

4'-(heptyloxy)-3-piperidinopropiophenone hydrochloride

Structural Information

Molecular Formula
C21H33NO2
SMILES
CCCCCCCOC1=CC=C(C=C1)C(=O)CCN2CCCCC2
InChI
InChI=1S/C21H33NO2/c1-2-3-4-5-9-18-24-20-12-10-19(11-13-20)21(23)14-17-22-15-7-6-8-16-22/h10-13H,2-9,14-18H2,1H3
InChIKey
MGBSEAVFZLXRPF-UHFFFAOYSA-N
Compound name
1-(4-heptoxyphenyl)-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

331.25113 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.25841 185.8
[M+Na]+ 354.24035 186.9
[M-H]- 330.24385 188.5
[M+NH4]+ 349.28495 197.5
[M+K]+ 370.21429 182.8
[M+H-H2O]+ 314.24839 175.9
[M+HCOO]- 376.24933 201.7
[M+CH3COO]- 390.26498 211.7
[M+Na-2H]- 352.22580 185.1
[M]+ 331.25058 185.3
[M]- 331.25168 185.3
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

patents stripe