CID 217579

38940-46-4

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]+ 336.232176 185.0
[M+Na]+ 358.214118 185.3
[M-H]- 334.217624 190.5
[M+NH4]+ 353.258723 195.5
[M+K]+ 374.188058 179.9
[M+H-H2O]+ 318.222160 174.0
[M+HCOO]- 380.223101 200.2
[M+CH3COO]- 394.238751 211.3
[M+Na-2H]- 356.199566 185.1
[M]+ 335.22435142 179.8
[M]- 335.22544858 179.8
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.