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 185.0
[M+Na]+ 358.21412 185.3
[M-H]- 334.21762 190.5
[M+NH4]+ 353.25872 195.5
[M+K]+ 374.18806 179.9
[M+H-H2O]+ 318.22216 174.0
[M+HCOO]- 380.22310 200.2
[M+CH3COO]- 394.23875 211.3
[M+Na-2H]- 356.19957 185.1
[M]+ 335.22435 179.8
[M]- 335.22545 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.