CID 3074447

157846-68-9

Structural Information

Molecular Formula
C26H30N2O2
SMILES
COC1=CC=CC=C1OC(CCN2CCN(CC2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H30N2O2/c1-29-25-14-8-9-15-26(25)30-24(22-10-4-2-5-11-22)16-17-27-18-20-28(21-19-27)23-12-6-3-7-13-23/h2-15,24H,16-21H2,1H3
InChIKey
XOTNYWWXTCBNPZ-UHFFFAOYSA-N
Compound name
1-[3-(2-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 201.0
[M+Na]+ 425.21996 202.7
[M-H]- 401.22346 208.5
[M+NH4]+ 420.26456 207.1
[M+K]+ 441.19390 196.5
[M+H-H2O]+ 385.22800 187.2
[M+HCOO]- 447.22894 215.6
[M+CH3COO]- 461.24459 207.4
[M+Na-2H]- 423.20541 201.6
[M]+ 402.23019 197.7
[M]- 402.23129 197.7
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

No patent data available for this compound.