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

43
Patents

268.15756 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.164836 163.7
[M+Na]+ 291.146778 167.6
[M-H]- 267.150284 167.8
[M+NH4]+ 286.191383 175.6
[M+K]+ 307.120718 162.0
[M+H-H2O]+ 251.154820 153.1
[M+HCOO]- 313.155761 180.0
[M+CH3COO]- 327.171411 172.9
[M+Na-2H]- 289.132226 168.5
[M]+ 268.15701142 157.6
[M]- 268.15810858 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