CID 2838409

N-(3,4,5-trimethoxybenzyl)-n'-(2-fluorophenyl)piperazine hydrochloride

Structural Information

Molecular Formula
C20H25FN2O3
SMILES
COC1=CC(=CC(=C1OC)OC)CN2CCN(CC2)C3=CC=CC=C3F
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)17-7-5-4-6-16(17)21/h4-7,12-13H,8-11,14H2,1-3H3
InChIKey
SNXHCCNLKOFXDF-UHFFFAOYSA-N
Compound name
1-(2-fluorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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

No literature data available for this compound.

Patent stripe

patents stripe