CID 217579

1,2-diphenyl-6-(piperidin-1-yl)hexan-1-one

Structural Information

Molecular Formula
C23H29NO
SMILES
C1CCN(CC1)CCCCC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H29NO/c25-23(21-14-6-2-7-15-21)22(20-12-4-1-5-13-20)16-8-11-19-24-17-9-3-10-18-24/h1-2,4-7,12-15,22H,3,8-11,16-19H2
InChIKey
MDUDECSQHYSVDJ-UHFFFAOYSA-N
Compound name
1,2-diphenyl-6-piperidin-1-ylhexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.2249 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.23218 186.5
[M+Na]+ 358.21412 199.5
[M+NH4]+ 353.25872 194.8
[M+K]+ 374.18806 190.0
[M-H]- 334.21762 192.6
[M+Na-2H]- 356.19957 195.6
[M]+ 335.22435 190.1
[M]- 335.22545 190.1
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.