CID 213433

Phenetole, o-(p-chlorophenoxy)-beta-piperidino-, hydrochloride

Structural Information

Molecular Formula
C19H22ClNO2
SMILES
C1CCN(CC1)CCOC2=CC=CC=C2OC3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H22ClNO2/c20-16-8-10-17(11-9-16)23-19-7-3-2-6-18(19)22-15-14-21-12-4-1-5-13-21/h2-3,6-11H,1,4-5,12-15H2
InChIKey
HTKDXOCKHAPJHT-UHFFFAOYSA-N
Compound name
1-[2-[2-(4-chlorophenoxy)phenoxy]ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.1339 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.14118 178.0
[M+Na]+ 354.12312 183.1
[M-H]- 330.12662 184.7
[M+NH4]+ 349.16772 190.5
[M+K]+ 370.09706 177.2
[M+H-H2O]+ 314.13116 168.0
[M+HCOO]- 376.13210 192.0
[M+CH3COO]- 390.14775 187.5
[M+Na-2H]- 352.10857 180.7
[M]+ 331.13335 178.0
[M]- 331.13445 178.0
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.