CID 3024405

1-phenethyl-4-phenyl-4-piperidinol

Structural Information

Molecular Formula
C19H23NO
SMILES
C1CN(CCC1(C2=CC=CC=C2)O)CCC3=CC=CC=C3
InChI
InChI=1S/C19H23NO/c21-19(18-9-5-2-6-10-18)12-15-20(16-13-19)14-11-17-7-3-1-4-8-17/h1-10,21H,11-16H2
InChIKey
DKHZPADYDXDGRK-UHFFFAOYSA-N
Compound name
4-phenyl-1-(2-phenylethyl)piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

281.17798 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.18526 169.4
[M+Na]+ 304.16720 173.5
[M-H]- 280.17070 175.1
[M+NH4]+ 299.21180 184.2
[M+K]+ 320.14114 168.0
[M+H-H2O]+ 264.17524 159.6
[M+HCOO]- 326.17618 186.4
[M+CH3COO]- 340.19183 178.8
[M+Na-2H]- 302.15265 173.8
[M]+ 281.17743 163.8
[M]- 281.17853 163.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe