CID 120548

Brn 0554549

Structural Information

Molecular Formula
C18H23N3O
SMILES
COC1=CC=C(C=C1)CCN2CCN(CC2)C3=CC=CC=N3
InChI
InChI=1S/C18H23N3O/c1-22-17-7-5-16(6-8-17)9-11-20-12-14-21(15-13-20)18-4-2-3-10-19-18/h2-8,10H,9,11-15H2,1H3
InChIKey
AKADUWVZYNJHFA-UHFFFAOYSA-N
Compound name
1-[2-(4-methoxyphenyl)ethyl]-4-pyridin-2-ylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1841 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.19138 173.4
[M+Na]+ 320.17332 178.2
[M-H]- 296.17682 177.6
[M+NH4]+ 315.21792 183.6
[M+K]+ 336.14726 172.9
[M+H-H2O]+ 280.18136 161.4
[M+HCOO]- 342.18230 189.4
[M+CH3COO]- 356.19795 182.2
[M+Na-2H]- 318.15877 177.2
[M]+ 297.18355 170.3
[M]- 297.18465 170.3
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

No patent data available for this compound.