CID 118753546

Chembl3544567

Structural Information

Molecular Formula
C21H25NO2
SMILES
C1CCN(C(=O)C1)CCCC(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C21H25NO2/c23-20-14-7-8-16-22(20)17-9-15-21(24,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-6,10-13,24H,7-9,14-17H2
InChIKey
FRGMIAQDVHDWPL-UHFFFAOYSA-N
Compound name
1-(4-hydroxy-4,4-diphenylbutyl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.18854 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.195816 179.5
[M+Na]+ 346.177758 182.2
[M-H]- 322.181264 184.7
[M+NH4]+ 341.222363 190.4
[M+K]+ 362.151698 176.6
[M+H-H2O]+ 306.185800 169.6
[M+HCOO]- 368.186741 194.5
[M+CH3COO]- 382.202391 204.9
[M+Na-2H]- 344.163206 182.9
[M]+ 323.18799142 174.5
[M]- 323.18908858 174.5
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

No patent data available for this compound.