CID 3017356

1-(4-phenoxyphenyl)piperazine

Structural Information

Molecular Formula
C16H18N2O
SMILES
C1CN(CCN1)C2=CC=C(C=C2)OC3=CC=CC=C3
InChI
InChI=1S/C16H18N2O/c1-2-4-15(5-3-1)19-16-8-6-14(7-9-16)18-12-10-17-11-13-18/h1-9,17H,10-13H2
InChIKey
CEDIEUVYUSGIDQ-UHFFFAOYSA-N
Compound name
1-(4-phenoxyphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

92
Patents

254.1419 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.149176 159.4
[M+Na]+ 277.131118 163.7
[M-H]- 253.134624 163.7
[M+NH4]+ 272.175723 171.8
[M+K]+ 293.105058 158.3
[M+H-H2O]+ 237.139160 149.0
[M+HCOO]- 299.140101 176.0
[M+CH3COO]- 313.155751 168.9
[M+Na-2H]- 275.116566 164.6
[M]+ 254.14135142 152.9
[M]- 254.14244858 152.9
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