CID 120968

Brn 0625659

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]+ 341.22238 186.1
[M+Na]+ 363.20432 200.9
[M+NH4]+ 358.24892 193.8
[M+K]+ 379.17826 191.9
[M-H]- 339.20782 191.8
[M+Na-2H]- 361.18977 194.6
[M]+ 340.21455 189.9
[M]- 340.21565 189.9
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.