CID 1377352

1-(4-fluorophenyl)-4-(2,3,4-trimethoxybenzyl)piperazin-4-ium chloride

Structural Information

Molecular Formula
C20H25FN2O3
SMILES
COC1=C(C(=C(C=C1)CN2CCN(CC2)C3=CC=C(C=C3)F)OC)OC
InChI
InChI=1S/C20H25FN2O3/c1-24-18-9-4-15(19(25-2)20(18)26-3)14-22-10-12-23(13-11-22)17-7-5-16(21)6-8-17/h4-9H,10-14H2,1-3H3
InChIKey
UKZQVFRIBIZDOX-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

360.1849 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.19218 190.1
[M+Na]+ 383.17412 203.8
[M+NH4]+ 378.21872 196.4
[M+K]+ 399.14806 195.8
[M-H]- 359.17762 193.7
[M+Na-2H]- 381.15957 197.1
[M]+ 360.18435 193.0
[M]- 360.18545 193.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.