CID 199962

5318-20-7

Structural Information

Molecular Formula
C20H24ClNO2
SMILES
COC1=C(C=C(C=C1)CN2CCC(CC2)C3=CC=C(C=C3)Cl)OC
InChI
InChI=1S/C20H24ClNO2/c1-23-19-8-3-15(13-20(19)24-2)14-22-11-9-17(10-12-22)16-4-6-18(21)7-5-16/h3-8,13,17H,9-12,14H2,1-2H3
InChIKey
XUACCYXKVMQKOW-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.14957 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.156846 182.9
[M+Na]+ 368.138788 189.4
[M-H]- 344.142294 190.2
[M+NH4]+ 363.183393 195.5
[M+K]+ 384.112728 183.4
[M+H-H2O]+ 328.146830 173.1
[M+HCOO]- 390.147771 196.6
[M+CH3COO]- 404.163421 211.7
[M+Na-2H]- 366.124236 183.6
[M]+ 345.14902142 184.1
[M]- 345.15011858 184.1
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.