CID 100984

1-(3,4-methylenedioxybenzyl)-4-(2-pyridyl)piperazine

Structural Information

Molecular Formula
C17H19N3O2
SMILES
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=CC=CC=N4
InChI
InChI=1S/C17H19N3O2/c1-2-6-18-17(3-1)20-9-7-19(8-10-20)12-14-4-5-15-16(11-14)22-13-21-15/h1-6,11H,7-10,12-13H2
InChIKey
CEGRWSXQLTVGKZ-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-ylmethyl)-4-pyridin-2-ylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

2
Patents

297.14774 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.15502 170.2
[M+Na]+ 320.13696 184.8
[M+NH4]+ 315.18156 178.4
[M+K]+ 336.11090 179.3
[M-H]- 296.14046 177.7
[M+Na-2H]- 318.12241 177.1
[M]+ 297.14719 174.4
[M]- 297.14829 174.4
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