CID 1716313

1-(3-(2-biphenylyloxy)propyl)-4-methylpiperazine dihydrochloride

Structural Information

Molecular Formula
C20H26N2O
SMILES
CN1CCN(CC1)CCCOC2=CC=CC=C2C3=CC=CC=C3
InChI
InChI=1S/C20H26N2O/c1-21-13-15-22(16-14-21)12-7-17-23-20-11-6-5-10-19(20)18-8-3-2-4-9-18/h2-6,8-11H,7,12-17H2,1H3
InChIKey
QMKIFIDETGWESG-UHFFFAOYSA-N
Compound name
1-methyl-4-[3-(2-phenylphenoxy)propyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

310.2045 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.211776 177.5
[M+Na]+ 333.193718 181.3
[M-H]- 309.197224 182.7
[M+NH4]+ 328.238323 188.5
[M+K]+ 349.167658 176.0
[M+H-H2O]+ 293.201760 166.0
[M+HCOO]- 355.202701 194.2
[M+CH3COO]- 369.218351 186.2
[M+Na-2H]- 331.179166 180.2
[M]+ 310.20395142 174.5
[M]- 310.20504858 174.5
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