CID 3067875

Brn 0570966

Structural Information

Molecular Formula
C21H28N2O3
SMILES
COC1=CC(=CC(=C1OC)OC)CCN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C21H28N2O3/c1-24-19-15-17(16-20(25-2)21(19)26-3)9-10-22-11-13-23(14-12-22)18-7-5-4-6-8-18/h4-8,15-16H,9-14H2,1-3H3
InChIKey
XVTWPBXEXCAEMB-UHFFFAOYSA-N
Compound name
1-phenyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.21 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.217276 188.7
[M+Na]+ 379.199218 193.7
[M-H]- 355.202724 194.6
[M+NH4]+ 374.243823 198.3
[M+K]+ 395.173158 189.5
[M+H-H2O]+ 339.207260 177.0
[M+HCOO]- 401.208201 205.4
[M+CH3COO]- 415.223851 215.9
[M+Na-2H]- 377.184666 189.5
[M]+ 356.20945142 189.8
[M]- 356.21054858 189.8
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

No patent data available for this compound.