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

2
Patents

282.17322 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.180496 168.1
[M+Na]+ 305.162438 171.5
[M-H]- 281.165944 172.0
[M+NH4]+ 300.207043 179.3
[M+K]+ 321.136378 165.7
[M+H-H2O]+ 265.170480 157.3
[M+HCOO]- 327.171421 184.0
[M+CH3COO]- 341.187071 176.8
[M+Na-2H]- 303.147886 172.3
[M]+ 282.17267142 162.3
[M]- 282.17376858 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