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

16
Patents

372.2049 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.212176 191.8
[M+Na]+ 395.194118 197.4
[M-H]- 371.197624 198.1
[M+NH4]+ 390.238723 200.9
[M+K]+ 411.168058 194.0
[M+H-H2O]+ 355.202160 180.1
[M+HCOO]- 417.203101 208.6
[M+CH3COO]- 431.218751 219.3
[M+Na-2H]- 393.179566 191.9
[M]+ 372.20435142 194.7
[M]- 372.20544858 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