CID 88768

Piperazine, 1-(m-methoxybenzyl)-4-phenyl-, dihydrochloride

Structural Information

Molecular Formula
C18H22N2O
SMILES
COC1=CC=CC(=C1)CN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C18H22N2O/c1-21-18-9-5-6-16(14-18)15-19-10-12-20(13-11-19)17-7-3-2-4-8-17/h2-9,14H,10-13,15H2,1H3
InChIKey
XWQDPQPOZOHIPP-UHFFFAOYSA-N
Compound name
1-[(3-methoxyphenyl)methyl]-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

282.17322 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.18050 169.7
[M+Na]+ 305.16244 184.9
[M+NH4]+ 300.20704 178.5
[M+K]+ 321.13638 175.6
[M-H]- 281.16594 175.8
[M+Na-2H]- 303.14789 179.9
[M]+ 282.17267 173.7
[M]- 282.17377 173.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe