CID 3050372

Piperazine, 1-(3-phenoxypropyl)-4-phenyl-

Structural Information

Molecular Formula
C19H24N2O
SMILES
C1CN(CCN1CCCOC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H24N2O/c1-3-8-18(9-4-1)21-15-13-20(14-16-21)12-7-17-22-19-10-5-2-6-11-19/h1-6,8-11H,7,12-17H2
InChIKey
XHIUHIDIRNZTAW-UHFFFAOYSA-N
Compound name
1-(3-phenoxypropyl)-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

296.18887 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.19615 172.6
[M+Na]+ 319.17809 175.9
[M-H]- 295.18159 177.6
[M+NH4]+ 314.22269 183.9
[M+K]+ 335.15203 170.7
[M+H-H2O]+ 279.18613 161.1
[M+HCOO]- 341.18707 189.6
[M+CH3COO]- 355.20272 181.4
[M+Na-2H]- 317.16354 176.5
[M]+ 296.18832 168.9
[M]- 296.18942 168.9
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.