CID 116149

1-(3,4-dimethoxybenzyl)-4-(3-chlorophenyl)piperazine hydrochloride

Structural Information

Molecular Formula
C19H23ClN2O2
SMILES
COC1=C(C=C(C=C1)CN2CCN(CC2)C3=CC(=CC=C3)Cl)OC
InChI
InChI=1S/C19H23ClN2O2/c1-23-18-7-6-15(12-19(18)24-2)14-21-8-10-22(11-9-21)17-5-3-4-16(20)13-17/h3-7,12-13H,8-11,14H2,1-2H3
InChIKey
WIYKDSJZNWYSGC-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

346.1448 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.15208 182.9
[M+Na]+ 369.13402 199.0
[M+NH4]+ 364.17862 191.2
[M+K]+ 385.10796 189.5
[M-H]- 345.13752 188.7
[M+Na-2H]- 367.11947 192.0
[M]+ 346.14425 187.3
[M]- 346.14535 187.3
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.