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

9
Patents

432.22604 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.233316 205.9
[M+Na]+ 455.215258 211.9
[M-H]- 431.218764 212.6
[M+NH4]+ 450.259863 212.9
[M+K]+ 471.189198 209.9
[M+H-H2O]+ 415.223300 193.9
[M+HCOO]- 477.224241 222.2
[M+CH3COO]- 491.239891 232.0
[M+Na-2H]- 453.200706 204.0
[M]+ 432.22549142 213.2
[M]- 432.22658858 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