CID 3061517

1-(3-(2-methoxyphenoxy)-3-phenylpropyl)-4-(phenylmethyl)piperazine hydrochloride h2o (2:4:3)

Structural Information

Molecular Formula
C27H32N2O2
SMILES
COC1=CC=CC=C1OC(CCN2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C27H32N2O2/c1-30-26-14-8-9-15-27(26)31-25(24-12-6-3-7-13-24)16-17-28-18-20-29(21-19-28)22-23-10-4-2-5-11-23/h2-15,25H,16-22H2,1H3
InChIKey
NBIXQTAFCALVHC-UHFFFAOYSA-N
Compound name
1-benzyl-4-[3-(2-methoxyphenoxy)-3-phenylpropyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.24637 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.25365 207.3
[M+Na]+ 439.23559 222.6
[M+NH4]+ 434.28019 214.9
[M+K]+ 455.20953 212.2
[M-H]- 415.23909 215.3
[M+Na-2H]- 437.22104 218.3
[M]+ 416.24582 211.9
[M]- 416.24692 211.9
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.