CID 121083

1-(2,4-dimethoxyphenethyl)-4-(2-pyridyl)piperazine dihydrochloride

Structural Information

Molecular Formula
C19H25N3O2
SMILES
COC1=C(C(=CC=C1)OC)CCN2CCN(CC2)C3=CC=CC=N3
InChI
InChI=1S/C19H25N3O2/c1-23-17-6-5-7-18(24-2)16(17)9-11-21-12-14-22(15-13-21)19-8-3-4-10-20-19/h3-8,10H,9,11-15H2,1-2H3
InChIKey
JTTWJWVMSGMKMU-UHFFFAOYSA-N
Compound name
1-[2-(2,6-dimethoxyphenyl)ethyl]-4-pyridin-2-ylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.19467 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.20195 181.6
[M+Na]+ 350.18389 196.2
[M+NH4]+ 345.22849 188.7
[M+K]+ 366.15783 187.7
[M-H]- 326.18739 186.4
[M+Na-2H]- 348.16934 190.3
[M]+ 327.19412 185.0
[M]- 327.19522 185.0
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.