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]+ 343.201616 184.3
[M+Na]+ 365.183558 189.7
[M-H]- 341.187064 190.4
[M+NH4]+ 360.228163 194.5
[M+K]+ 381.157498 185.8
[M+H-H2O]+ 325.191600 172.8
[M+HCOO]- 387.192541 201.3
[M+CH3COO]- 401.208191 212.9
[M+Na-2H]- 363.169006 185.6
[M]+ 342.19379142 185.0
[M]- 342.19488858 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.