CID 3591567

1-{[3-(benzyloxy)phenyl]methyl}piperazine

Structural Information

Molecular Formula
C18H22N2O
SMILES
C1CN(CCN1)CC2=CC(=CC=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C18H22N2O/c1-2-5-16(6-3-1)15-21-18-8-4-7-17(13-18)14-20-11-9-19-10-12-20/h1-8,13,19H,9-12,14-15H2
InChIKey
RIRDSWLAIQLCPH-UHFFFAOYSA-N
Compound name
1-[(3-phenylmethoxyphenyl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

282.17322 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.18050 168.1
[M+Na]+ 305.16244 171.5
[M-H]- 281.16594 172.0
[M+NH4]+ 300.20704 179.3
[M+K]+ 321.13638 165.7
[M+H-H2O]+ 265.17048 157.3
[M+HCOO]- 327.17142 184.0
[M+CH3COO]- 341.18707 176.8
[M+Na-2H]- 303.14789 172.3
[M]+ 282.17267 162.3
[M]- 282.17377 162.3
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