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

7
Patents

360.1849 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.192176 188.0
[M+Na]+ 383.174118 194.4
[M-H]- 359.177624 193.1
[M+NH4]+ 378.218723 197.7
[M+K]+ 399.148058 190.0
[M+H-H2O]+ 343.182160 175.7
[M+HCOO]- 405.183101 203.9
[M+CH3COO]- 419.198751 216.8
[M+Na-2H]- 381.159566 187.9
[M]+ 360.18435142 188.1
[M]- 360.18544858 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