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

0
Patents

354.23074 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.23802 189.8
[M+Na]+ 377.21996 194.3
[M-H]- 353.22346 195.7
[M+NH4]+ 372.26456 199.6
[M+K]+ 393.19390 189.7
[M+H-H2O]+ 337.22800 178.4
[M+HCOO]- 399.22894 205.0
[M+CH3COO]- 413.24459 217.6
[M+Na-2H]- 375.20541 188.9
[M]+ 354.23019 189.3
[M]- 354.23129 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