CID 3062149

Piperazine, 1-(4-methylphenyl)-4-((3,4,5-trimethoxyphenyl)methyl)-, monohydrochloride

Structural Information

Molecular Formula
C21H28N2O3
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)CC3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C21H28N2O3/c1-16-5-7-18(8-6-16)23-11-9-22(10-12-23)15-17-13-19(24-2)21(26-4)20(14-17)25-3/h5-8,13-14H,9-12,15H2,1-4H3
InChIKey
ZHZNLIYRWRDRMU-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

356.21 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.21728 189.2
[M+Na]+ 379.19922 203.8
[M+NH4]+ 374.24382 196.2
[M+K]+ 395.17316 195.6
[M-H]- 355.20272 194.5
[M+Na-2H]- 377.18467 197.0
[M]+ 356.20945 192.8
[M]- 356.21055 192.8
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