CID 15384088

1-[3-(benzyloxy)phenyl]piperazine dihydrochloride

Structural Information

Molecular Formula
C17H20N2O
SMILES
C1CN(CCN1)C2=CC(=CC=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C17H20N2O/c1-2-5-15(6-3-1)14-20-17-8-4-7-16(13-17)19-11-9-18-10-12-19/h1-8,13,18H,9-12,14H2
InChIKey
PRIXVHNMFIDGKJ-UHFFFAOYSA-N
Compound name
1-(3-phenylmethoxyphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

268.15756 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.16484 163.7
[M+Na]+ 291.14678 167.6
[M-H]- 267.15028 167.8
[M+NH4]+ 286.19138 175.6
[M+K]+ 307.12072 162.0
[M+H-H2O]+ 251.15482 153.1
[M+HCOO]- 313.15576 180.0
[M+CH3COO]- 327.17141 172.9
[M+Na-2H]- 289.13223 168.5
[M]+ 268.15701 157.6
[M]- 268.15811 157.6
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