CID 1068043

Piperazine, 1-(4-methoxyphenyl)-4-((3,4,5-trimethoxyphenyl)methyl)-, dihydrochloride

Structural Information

Molecular Formula
C21H28N2O4
SMILES
COC1=CC=C(C=C1)N2CCN(CC2)CC3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C21H28N2O4/c1-24-18-7-5-17(6-8-18)23-11-9-22(10-12-23)15-16-13-19(25-2)21(27-4)20(14-16)26-3/h5-8,13-14H,9-12,15H2,1-4H3
InChIKey
KMLFOAXUFSBRHD-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

372.2049 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.21218 192.1
[M+Na]+ 395.19412 206.3
[M+NH4]+ 390.23872 198.6
[M+K]+ 411.16806 198.6
[M-H]- 371.19762 196.9
[M+Na-2H]- 393.17957 199.5
[M]+ 372.20435 195.5
[M]- 372.20545 195.5
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