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]+ 297.196146 172.6
[M+Na]+ 319.178088 175.9
[M-H]- 295.181594 177.6
[M+NH4]+ 314.222693 183.9
[M+K]+ 335.152028 170.7
[M+H-H2O]+ 279.186130 161.1
[M+HCOO]- 341.187071 189.6
[M+CH3COO]- 355.202721 181.4
[M+Na-2H]- 317.163536 176.5
[M]+ 296.18832142 168.9
[M]- 296.18941858 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

literature stripe

Patent stripe

patents stripe