CID 162845

1-(2-ethoxy-2-(3'-pyridyl)ethyl)-4-(2'-methoxyphenyl)piperazine hydrochloride

Structural Information

Molecular Formula
C20H27N3O2
SMILES
CCOC(CN1CCN(CC1)C2=CC=CC=C2OC)C3=CN=CC=C3
InChI
InChI=1S/C20H27N3O2/c1-3-25-20(17-7-6-10-21-15-17)16-22-11-13-23(14-12-22)18-8-4-5-9-19(18)24-2/h4-10,15,20H,3,11-14,16H2,1-2H3
InChIKey
FFKRVMYEUOOFBT-UHFFFAOYSA-N
Compound name
1-(2-ethoxy-2-pyridin-3-ylethyl)-4-(2-methoxyphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

7
Patents

341.21033 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.21761 185.2
[M+Na]+ 364.19955 198.8
[M+NH4]+ 359.24415 192.0
[M+K]+ 380.17349 190.8
[M-H]- 340.20305 189.7
[M+Na-2H]- 362.18500 193.7
[M]+ 341.20978 188.4
[M]- 341.21088 188.4
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