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 191.8
[M+Na]+ 395.19412 197.4
[M-H]- 371.19762 198.1
[M+NH4]+ 390.23872 200.9
[M+K]+ 411.16806 194.0
[M+H-H2O]+ 355.20216 180.1
[M+HCOO]- 417.20310 208.6
[M+CH3COO]- 431.21875 219.3
[M+Na-2H]- 393.17957 191.9
[M]+ 372.20435 194.7
[M]- 372.20545 194.7
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