CID 3064275

Brn 0286969

Structural Information

Molecular Formula
C21H26ClNO
SMILES
CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCCN3CCCCC3
InChI
InChI=1S/C21H26ClNO/c1-21(18-8-4-2-5-9-18,19-10-12-20(22)13-11-19)24-17-16-23-14-6-3-7-15-23/h2,4-5,8-13H,3,6-7,14-17H2,1H3
InChIKey
ZBQFYVCEMFKBLW-UHFFFAOYSA-N
Compound name
1-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.1703 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.17758 185.5
[M+Na]+ 366.15952 200.5
[M+NH4]+ 361.20412 194.7
[M+K]+ 382.13346 190.4
[M-H]- 342.16302 191.8
[M+Na-2H]- 364.14497 195.7
[M]+ 343.16975 190.0
[M]- 343.17085 190.0
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.