CID 217578

1,2-diphenyl-5-(piperidin-1-yl)pentan-1-one

Structural Information

Molecular Formula
C22H27NO
SMILES
C1CCN(CC1)CCCC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C22H27NO/c24-22(20-13-6-2-7-14-20)21(19-11-4-1-5-12-19)15-10-18-23-16-8-3-9-17-23/h1-2,4-7,11-14,21H,3,8-10,15-18H2
InChIKey
RNIBVRFWGZKRNH-UHFFFAOYSA-N
Compound name
1,2-diphenyl-5-piperidin-1-ylpentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.20926 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.216536 180.5
[M+Na]+ 344.198478 181.3
[M-H]- 320.201984 186.3
[M+NH4]+ 339.243083 191.6
[M+K]+ 360.172418 176.1
[M+H-H2O]+ 304.206520 169.7
[M+HCOO]- 366.207461 196.1
[M+CH3COO]- 380.223111 208.4
[M+Na-2H]- 342.183926 181.3
[M]+ 321.20871142 175.1
[M]- 321.20980858 175.1
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

No patent data available for this compound.