CID 120961

Brn 0625640

Structural Information

Molecular Formula
C19H25N3O2
SMILES
COC1=C(C=C(C=C1)CCN2CCN(CC2)C3=CC=CC=N3)OC
InChI
InChI=1S/C19H25N3O2/c1-23-17-7-6-16(15-18(17)24-2)8-10-21-11-13-22(14-12-21)19-5-3-4-9-20-19/h3-7,9,15H,8,10-14H2,1-2H3
InChIKey
AMRDFXICIGZUMO-UHFFFAOYSA-N
Compound name
1-[2-(3,4-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 181.4
[M+Na]+ 350.18389 186.5
[M-H]- 326.18739 185.8
[M+NH4]+ 345.22849 190.5
[M+K]+ 366.15783 181.6
[M+H-H2O]+ 310.19193 169.1
[M+HCOO]- 372.19287 197.1
[M+CH3COO]- 386.20852 209.4
[M+Na-2H]- 348.16934 183.9
[M]+ 327.19412 180.4
[M]- 327.19522 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.