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]+ 346.15685 182.9
[M+Na]+ 368.13879 189.4
[M-H]- 344.14229 190.2
[M+NH4]+ 363.18339 195.5
[M+K]+ 384.11273 183.4
[M+H-H2O]+ 328.14683 173.1
[M+HCOO]- 390.14777 196.6
[M+CH3COO]- 404.16342 211.7
[M+Na-2H]- 366.12424 183.6
[M]+ 345.14902 184.1
[M]- 345.15012 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.