CID 3064334

102071-49-8

Structural Information

Molecular Formula
C20H22ClNO
SMILES
C1CN(CCC1(C2=CC=C(C=C2)Cl)O)[C@@H]3C[C@H]3C4=CC=CC=C4
InChI
InChI=1S/C20H22ClNO/c21-17-8-6-16(7-9-17)20(23)10-12-22(13-11-20)19-14-18(19)15-4-2-1-3-5-15/h1-9,18-19,23H,10-14H2/t18-,19+/m0/s1
InChIKey
AMHWZKCDDBEZQL-RBUKOAKNSA-N
Compound name
4-(4-chlorophenyl)-1-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.13898 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.14626 179.1
[M+Na]+ 350.12820 196.5
[M+NH4]+ 345.17280 190.7
[M+K]+ 366.10214 186.2
[M-H]- 326.13170 193.7
[M+Na-2H]- 348.11365 193.1
[M]+ 327.13843 187.5
[M]- 327.13953 187.5
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.