CID 199286

Piperazine, 1-(o-methoxyphenyl)-4-(2-(2-pyridyl)ethyl)-

Structural Information

Molecular Formula
C18H23N3O
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCC3=CC=CC=N3
InChI
InChI=1S/C18H23N3O/c1-22-18-8-3-2-7-17(18)21-14-12-20(13-15-21)11-9-16-6-4-5-10-19-16/h2-8,10H,9,11-15H2,1H3
InChIKey
KDDKHXPGBGVQMO-UHFFFAOYSA-N
Compound name
1-(2-methoxyphenyl)-4-(2-pyridin-2-ylethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

297.1841 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.191376 173.4
[M+Na]+ 320.173318 178.2
[M-H]- 296.176824 177.6
[M+NH4]+ 315.217923 183.6
[M+K]+ 336.147258 172.9
[M+H-H2O]+ 280.181360 161.4
[M+HCOO]- 342.182301 189.4
[M+CH3COO]- 356.197951 182.2
[M+Na-2H]- 318.158766 177.2
[M]+ 297.18355142 170.3
[M]- 297.18464858 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

patents stripe