CID 3062151

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

Structural Information

Molecular Formula
C22H30N2O3
SMILES
CC1=C(C=C(C=C1)N2CCN(CC2)CC3=CC(=C(C(=C3)OC)OC)OC)C
InChI
InChI=1S/C22H30N2O3/c1-16-6-7-19(12-17(16)2)24-10-8-23(9-11-24)15-18-13-20(25-3)22(27-5)21(14-18)26-4/h6-7,12-14H,8-11,15H2,1-5H3
InChIKey
XMWYBCMUYDZSMM-UHFFFAOYSA-N
Compound name
1-(3,4-dimethylphenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

370.22565 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.23293 193.7
[M+Na]+ 393.21487 208.5
[M+NH4]+ 388.25947 200.6
[M+K]+ 409.18881 200.3
[M-H]- 369.21837 199.0
[M+Na-2H]- 391.20032 201.0
[M]+ 370.22510 197.4
[M]- 370.22620 197.4
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