CID 3074448

1-(3-(4-methoxyphenoxy)-3-phenylpropyl)-4-phenylpiperazine

Structural Information

Molecular Formula
C26H30N2O2
SMILES
COC1=CC=C(C=C1)OC(CCN2CCN(CC2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H30N2O2/c1-29-24-12-14-25(15-13-24)30-26(22-8-4-2-5-9-22)16-17-27-18-20-28(21-19-27)23-10-6-3-7-11-23/h2-15,26H,16-21H2,1H3
InChIKey
QBQAEOZMNAEWBU-UHFFFAOYSA-N
Compound name
1-[3-(4-methoxyphenoxy)-3-phenylpropyl]-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.23074 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.23802 202.9
[M+Na]+ 425.21996 218.4
[M+NH4]+ 420.26456 210.7
[M+K]+ 441.19390 208.2
[M-H]- 401.22346 210.9
[M+Na-2H]- 423.20541 214.2
[M]+ 402.23019 207.6
[M]- 402.23129 207.6
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.