CID 1245813

Piperazine, 1-(3-methoxyphenyl)-4-(3-pyridinylcarbonyl)-, dihydrochloride

Structural Information

Molecular Formula
C17H19N3O2
SMILES
COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=CN=CC=C3
InChI
InChI=1S/C17H19N3O2/c1-22-16-6-2-5-15(12-16)19-8-10-20(11-9-19)17(21)14-4-3-7-18-13-14/h2-7,12-13H,8-11H2,1H3
InChIKey
OMGRGGHGTJJKQQ-UHFFFAOYSA-N
Compound name
[4-(3-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

297.14774 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.15502 171.1
[M+Na]+ 320.13696 185.4
[M+NH4]+ 315.18156 178.1
[M+K]+ 336.11090 178.0
[M-H]- 296.14046 175.5
[M+Na-2H]- 318.12241 180.2
[M]+ 297.14719 174.3
[M]- 297.14829 174.3
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

No patent data available for this compound.