CID 200405

Piperazine, 1-phenyl-4-(4-(o-tolyloxy)butyl)-, hydrochloride

Structural Information

Molecular Formula
C21H28N2O
SMILES
CC1=CC=CC=C1OCCCCN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C21H28N2O/c1-19-9-5-6-12-21(19)24-18-8-7-13-22-14-16-23(17-15-22)20-10-3-2-4-11-20/h2-6,9-12H,7-8,13-18H2,1H3
InChIKey
XPBZPBYLLWQREU-UHFFFAOYSA-N
Compound name
1-[4-(2-methylphenoxy)butyl]-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

324.22015 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.227426 181.9
[M+Na]+ 347.209368 185.3
[M-H]- 323.212874 186.9
[M+NH4]+ 342.253973 192.3
[M+K]+ 363.183308 179.7
[M+H-H2O]+ 307.217410 170.2
[M+HCOO]- 369.218351 198.2
[M+CH3COO]- 383.234001 209.4
[M+Na-2H]- 345.194816 184.0
[M]+ 324.21960142 179.3
[M]- 324.22069858 179.3
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