CID 1376860

Piperazine, 1-(4-fluorophenyl)-4-((3,4,5-trimethoxyphenyl)methyl)-, monohydrochloride

Structural Information

Molecular Formula
C20H25FN2O3
SMILES
COC1=CC(=CC(=C1OC)OC)CN2CCN(CC2)C3=CC=C(C=C3)F
InChI
InChI=1S/C20H25FN2O3/c1-24-18-12-15(13-19(25-2)20(18)26-3)14-22-8-10-23(11-9-22)17-6-4-16(21)5-7-17/h4-7,12-13H,8-11,14H2,1-3H3
InChIKey
KKCOGNFFBYOKMA-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4
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 188.0
[M+Na]+ 383.17412 194.4
[M-H]- 359.17762 193.1
[M+NH4]+ 378.21872 197.7
[M+K]+ 399.14806 190.0
[M+H-H2O]+ 343.18216 175.7
[M+HCOO]- 405.18310 203.9
[M+CH3COO]- 419.19875 216.8
[M+Na-2H]- 381.15957 187.9
[M]+ 360.18435 188.1
[M]- 360.18545 188.1
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

patents stripe