CID 3069141

Piperazine, 1-(3-(4-methylphenoxy)propyl)-4-phenyl-, dihydrochloride

Structural Information

Molecular Formula
C20H26N2O
SMILES
CC1=CC=C(C=C1)OCCCN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C20H26N2O/c1-18-8-10-20(11-9-18)23-17-5-12-21-13-15-22(16-14-21)19-6-3-2-4-7-19/h2-4,6-11H,5,12-17H2,1H3
InChIKey
JCCNBVKRVSIRAC-UHFFFAOYSA-N
Compound name
1-[3-(4-methylphenoxy)propyl]-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.2045 Da
Monoisotopic Mass

4.2
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.