CID 14825337

Sedinone

Structural Information

Molecular Formula
C17H25NO2
SMILES
CC(=O)CC1CCCC(N1C)CC(C2=CC=CC=C2)O
InChI
InChI=1S/C17H25NO2/c1-13(19)11-15-9-6-10-16(18(15)2)12-17(20)14-7-4-3-5-8-14/h3-5,7-8,15-17,20H,6,9-12H2,1-2H3
InChIKey
UNEVXLRBMRPLDP-UHFFFAOYSA-N
Compound name
1-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

275.18854 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.195816 167.8
[M+Na]+ 298.177758 171.1
[M-H]- 274.181264 170.5
[M+NH4]+ 293.222363 181.5
[M+K]+ 314.151698 167.6
[M+H-H2O]+ 258.185800 159.7
[M+HCOO]- 320.186741 182.6
[M+CH3COO]- 334.202391 199.4
[M+Na-2H]- 296.163206 167.0
[M]+ 275.18799142 164.0
[M]- 275.18908858 164.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe