CID 4014172

2059948-03-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
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 170.4
[M+Na]+ 305.16244 184.6
[M+NH4]+ 300.20704 178.8
[M+K]+ 321.13638 175.5
[M-H]- 281.16594 175.9
[M+Na-2H]- 303.14789 180.2
[M]+ 282.17267 174.0
[M]- 282.17377 174.0
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