CID 217578

38940-45-3

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]+ 322.21654 180.5
[M+Na]+ 344.19848 181.3
[M-H]- 320.20198 186.3
[M+NH4]+ 339.24308 191.6
[M+K]+ 360.17242 176.1
[M+H-H2O]+ 304.20652 169.7
[M+HCOO]- 366.20746 196.1
[M+CH3COO]- 380.22311 208.4
[M+Na-2H]- 342.18393 181.3
[M]+ 321.20871 175.1
[M]- 321.20981 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.