CID 120968

Piperazine, 1-(3,4-dimethoxyphenethyl)-4-(p-tolyl)-

Structural Information

Molecular Formula
C21H28N2O2
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)CCC3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C21H28N2O2/c1-17-4-7-19(8-5-17)23-14-12-22(13-15-23)11-10-18-6-9-20(24-2)21(16-18)25-3/h4-9,16H,10-15H2,1-3H3
InChIKey
JMEMXTTZXRFHNG-UHFFFAOYSA-N
Compound name
1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-methylphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.2151 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.222376 185.8
[M+Na]+ 363.204318 191.0
[M-H]- 339.207824 191.7
[M+NH4]+ 358.248923 196.2
[M+K]+ 379.178258 186.1
[M+H-H2O]+ 323.212360 174.3
[M+HCOO]- 385.213301 202.3
[M+CH3COO]- 399.228951 213.8
[M+Na-2H]- 361.189766 186.5
[M]+ 340.21455142 185.5
[M]- 340.21564858 185.5
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.