CID 115949

1-(3,4-dimethoxybenzyl)-4-(2-methoxyphenyl)piperazine hydrochloride

Structural Information

Molecular Formula
C20H26N2O3
SMILES
COC1=C(C=C(C=C1)CN2CCN(CC2)C3=CC=CC=C3OC)OC
InChI
InChI=1S/C20H26N2O3/c1-23-18-7-5-4-6-17(18)22-12-10-21(11-13-22)15-16-8-9-19(24-2)20(14-16)25-3/h4-9,14H,10-13,15H2,1-3H3
InChIKey
GLWVPIPHSJOKDI-UHFFFAOYSA-N
Compound name
1-[(3,4-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
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 184.3
[M+Na]+ 365.18356 189.7
[M-H]- 341.18706 190.4
[M+NH4]+ 360.22816 194.5
[M+K]+ 381.15750 185.8
[M+H-H2O]+ 325.19160 172.8
[M+HCOO]- 387.19254 201.3
[M+CH3COO]- 401.20819 212.9
[M+Na-2H]- 363.16901 185.6
[M]+ 342.19379 185.0
[M]- 342.19489 185.0
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.