CID 199960

3-(p-chlorophenyl)-1-(3,4-dimethoxyphenethyl)piperidine hydrochloride

Structural Information

Molecular Formula
C21H26ClNO2
SMILES
COC1=C(C=C(C=C1)CCN2CCCC(C2)C3=CC=C(C=C3)Cl)OC
InChI
InChI=1S/C21H26ClNO2/c1-24-20-10-5-16(14-21(20)25-2)11-13-23-12-3-4-18(15-23)17-6-8-19(22)9-7-17/h5-10,14,18H,3-4,11-13,15H2,1-2H3
InChIKey
MNIFYABLMSWHLN-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.1652 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.17248 187.4
[M+Na]+ 382.15442 193.4
[M-H]- 358.15792 194.5
[M+NH4]+ 377.19902 199.4
[M+K]+ 398.12836 187.3
[M+H-H2O]+ 342.16246 177.4
[M+HCOO]- 404.16340 200.7
[M+CH3COO]- 418.17905 214.7
[M+Na-2H]- 380.13987 187.6
[M]+ 359.16465 188.9
[M]- 359.16575 188.9
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.