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 184.3
[M+Na]+ 366.15952 188.1
[M-H]- 342.16302 190.6
[M+NH4]+ 361.20412 196.2
[M+K]+ 382.13346 181.6
[M+H-H2O]+ 326.16756 174.4
[M+HCOO]- 388.16850 195.8
[M+CH3COO]- 402.18415 209.7
[M+Na-2H]- 364.14497 187.4
[M]+ 343.16975 182.7
[M]- 343.17085 182.7
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.