CID 3074449

1-(3-(3,4-dimethoxyphenoxy)-3-phenylpropyl)-4-phenylpiperazine

Structural Information

Molecular Formula
C27H32N2O3
SMILES
COC1=C(C=C(C=C1)OC(CCN2CCN(CC2)C3=CC=CC=C3)C4=CC=CC=C4)OC
InChI
InChI=1S/C27H32N2O3/c1-30-26-14-13-24(21-27(26)31-2)32-25(22-9-5-3-6-10-22)15-16-28-17-19-29(20-18-28)23-11-7-4-8-12-23/h3-14,21,25H,15-20H2,1-2H3
InChIKey
GNBPJHKVFXVHLO-UHFFFAOYSA-N
Compound name
1-[3-(3,4-dimethoxyphenoxy)-3-phenylpropyl]-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.2413 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.24858 210.2
[M+Na]+ 455.23052 225.4
[M+NH4]+ 450.27512 217.2
[M+K]+ 471.20446 215.7
[M-H]- 431.23402 217.8
[M+Na-2H]- 453.21597 220.6
[M]+ 432.24075 214.6
[M]- 432.24185 214.6
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.