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]+ 328.146256 174.0
[M+Na]+ 350.128198 181.6
[M-H]- 326.131704 183.3
[M+NH4]+ 345.172803 183.5
[M+K]+ 366.102138 175.6
[M+H-H2O]+ 310.136240 165.2
[M+HCOO]- 372.137181 187.0
[M+CH3COO]- 386.152831 183.5
[M+Na-2H]- 348.113646 176.5
[M]+ 327.13843142 173.0
[M]- 327.13952858 173.0
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.