CID 3064358

4-piperidinol, 4-phenyl-1-(2-phenylcyclopropyl)-, hydrochloride, (e)-

Structural Information

Molecular Formula
C20H23NO
SMILES
C1CN(CCC1(C2=CC=CC=C2)O)[C@@H]3C[C@H]3C4=CC=CC=C4
InChI
InChI=1S/C20H23NO/c22-20(17-9-5-2-6-10-17)11-13-21(14-12-20)19-15-18(19)16-7-3-1-4-8-16/h1-10,18-19,22H,11-15H2/t18-,19+/m0/s1
InChIKey
LGVBVLQCTGFLTD-RBUKOAKNSA-N
Compound name
4-phenyl-1-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.17798 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.185256 169.5
[M+Na]+ 316.167198 175.9
[M-H]- 292.170704 179.0
[M+NH4]+ 311.211803 179.4
[M+K]+ 332.141138 171.2
[M+H-H2O]+ 276.175240 160.3
[M+HCOO]- 338.176181 187.0
[M+CH3COO]- 352.191831 179.2
[M+Na-2H]- 314.152646 173.2
[M]+ 293.17743142 166.0
[M]- 293.17852858 166.0
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.