CID 3061521

79333-03-2

Structural Information

Molecular Formula
C28H34N2O2
SMILES
CCOC1=CC=CC=C1OC(CCN2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C28H34N2O2/c1-2-31-27-15-9-10-16-28(27)32-26(25-13-7-4-8-14-25)17-18-29-19-21-30(22-20-29)23-24-11-5-3-6-12-24/h3-16,26H,2,17-23H2,1H3
InChIKey
SJZMMVNKRFNDPW-UHFFFAOYSA-N
Compound name
1-benzyl-4-[3-(2-ethoxyphenoxy)-3-phenylpropyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.26202 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.26930 209.5
[M+Na]+ 453.25124 210.2
[M-H]- 429.25474 216.6
[M+NH4]+ 448.29584 214.4
[M+K]+ 469.22518 203.7
[M+H-H2O]+ 413.25928 195.3
[M+HCOO]- 475.26022 223.4
[M+CH3COO]- 489.27587 215.0
[M+Na-2H]- 451.23669 209.1
[M]+ 430.26147 206.8
[M]- 430.26257 206.8
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

patents stripe