CID 3062157

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

Structural Information

Molecular Formula
C23H32N2O6
SMILES
COC1=CC(=CC(=C1OC)OC)CN2CCN(CC2)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C23H32N2O6/c1-26-18-11-16(12-19(27-2)22(18)30-5)15-24-7-9-25(10-8-24)17-13-20(28-3)23(31-6)21(14-17)29-4/h11-14H,7-10,15H2,1-6H3
InChIKey
QJSNYJAHNZGQMM-UHFFFAOYSA-N
Compound name
1-(3,4,5-trimethoxyphenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

432.22604 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.23332 205.9
[M+Na]+ 455.21526 211.9
[M-H]- 431.21876 212.6
[M+NH4]+ 450.25986 212.9
[M+K]+ 471.18920 209.9
[M+H-H2O]+ 415.22330 193.9
[M+HCOO]- 477.22424 222.2
[M+CH3COO]- 491.23989 232.0
[M+Na-2H]- 453.20071 204.0
[M]+ 432.22549 213.2
[M]- 432.22659 213.2
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