CID 3070953

1-(2-(3,4-dimethoxyphenyl)-1-(4-tolyl)ethyl)-4-methylpiperazine dihydrochloride

Structural Information

Molecular Formula
C22H30N2O2
SMILES
CC1=CC=C(C=C1)C(CC2=CC(=C(C=C2)OC)OC)N3CCN(CC3)C
InChI
InChI=1S/C22H30N2O2/c1-17-5-8-19(9-6-17)20(24-13-11-23(2)12-14-24)15-18-7-10-21(25-3)22(16-18)26-4/h5-10,16,20H,11-15H2,1-4H3
InChIKey
RUHWVLHBRRIXHH-UHFFFAOYSA-N
Compound name
1-[2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)ethyl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

354.23074 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.238016 189.8
[M+Na]+ 377.219958 194.3
[M-H]- 353.223464 195.7
[M+NH4]+ 372.264563 199.6
[M+K]+ 393.193898 189.7
[M+H-H2O]+ 337.228000 178.4
[M+HCOO]- 399.228941 205.0
[M+CH3COO]- 413.244591 217.6
[M+Na-2H]- 375.205406 188.9
[M]+ 354.23019142 189.3
[M]- 354.23128858 189.3
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

patents stripe