CID 213439

Piperidine, 1-(3-(o-(p-chlorophenoxy)phenoxy)propyl)-, hydrochloride

Structural Information

Molecular Formula
C20H24ClNO2
SMILES
C1CCN(CC1)CCCOC2=CC=CC=C2OC3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H24ClNO2/c21-17-9-11-18(12-10-17)24-20-8-3-2-7-19(20)23-16-6-15-22-13-4-1-5-14-22/h2-3,7-12H,1,4-6,13-16H2
InChIKey
BWIDZBHWNCKQHG-UHFFFAOYSA-N
Compound name
1-[3-[2-(4-chlorophenoxy)phenoxy]propyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.14957 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.15685 182.5
[M+Na]+ 368.13879 187.1
[M-H]- 344.14229 189.0
[M+NH4]+ 363.18339 194.4
[M+K]+ 384.11273 181.0
[M+H-H2O]+ 328.14683 172.2
[M+HCOO]- 390.14777 196.2
[M+CH3COO]- 404.16342 209.4
[M+Na-2H]- 366.12424 184.7
[M]+ 345.14902 182.8
[M]- 345.15012 182.8
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.