CID 115947

1-(3,4-dimethoxybenzyl)-4-(4-methoxyphenyl)piperazine

Structural Information

Molecular Formula
C20H26N2O3
SMILES
COC1=CC=C(C=C1)N2CCN(CC2)CC3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C20H26N2O3/c1-23-18-7-5-17(6-8-18)22-12-10-21(11-13-22)15-16-4-9-19(24-2)20(14-16)25-3/h4-9,14H,10-13,15H2,1-3H3
InChIKey
KIFZAYZKDPHZQS-UHFFFAOYSA-N
Compound name
1-[(3,4-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.19434 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.20162 184.7
[M+Na]+ 365.18356 199.2
[M+NH4]+ 360.22816 191.9
[M+K]+ 381.15750 191.0
[M-H]- 341.18706 189.9
[M+Na-2H]- 363.16901 193.0
[M]+ 342.19379 188.3
[M]- 342.19489 188.3
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

No patent data available for this compound.