CID 13785

Brn 1349560

Structural Information

Molecular Formula
C21H25NO
SMILES
C1CCN(CC1)CC(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H25NO/c23-20(17-22-14-8-3-9-15-22)16-21(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,21H,3,8-9,14-17H2
InChIKey
HBVOYFHEMFUNIH-UHFFFAOYSA-N
Compound name
4,4-diphenyl-1-piperidin-1-ylbutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1936 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.20088 176.1
[M+Na]+ 330.18282 177.3
[M-H]- 306.18632 182.0
[M+NH4]+ 325.22742 187.7
[M+K]+ 346.15676 172.3
[M+H-H2O]+ 290.19086 165.5
[M+HCOO]- 352.19180 192.0
[M+CH3COO]- 366.20745 205.4
[M+Na-2H]- 328.16827 177.3
[M]+ 307.19305 170.3
[M]- 307.19415 170.3
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.