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]+ 328.201946 181.4
[M+Na]+ 350.183888 186.5
[M-H]- 326.187394 185.8
[M+NH4]+ 345.228493 190.5
[M+K]+ 366.157828 181.6
[M+H-H2O]+ 310.191930 169.1
[M+HCOO]- 372.192871 197.1
[M+CH3COO]- 386.208521 209.4
[M+Na-2H]- 348.169336 183.9
[M]+ 327.19412142 180.4
[M]- 327.19521858 180.4
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.