CID 3056731

4'-(2-azetidinyl)-3-piperidinopropiophenone hydrochloride

Structural Information

Molecular Formula
C17H24N2O
SMILES
C1CCN(CC1)CCC(=O)C2=CC=C(C=C2)C3CCN3
InChI
InChI=1S/C17H24N2O/c20-17(9-13-19-11-2-1-3-12-19)15-6-4-14(5-7-15)16-8-10-18-16/h4-7,16,18H,1-3,8-13H2
InChIKey
MRKNQAAWKOTOLS-UHFFFAOYSA-N
Compound name
1-[4-(azetidin-2-yl)phenyl]-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.18887 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.19615 164.1
[M+Na]+ 295.17809 165.4
[M-H]- 271.18159 167.4
[M+NH4]+ 290.22269 169.6
[M+K]+ 311.15203 163.9
[M+H-H2O]+ 255.18613 149.0
[M+HCOO]- 317.18707 176.7
[M+CH3COO]- 331.20272 199.2
[M+Na-2H]- 293.16354 164.9
[M]+ 272.18832 165.4
[M]- 272.18942 165.4
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.