CID 3055600

Brn 0569152

Structural Information

Molecular Formula
C20H27N3O2
SMILES
CC1CN(CCN1C2=CC=CC=N2)CCC3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C20H27N3O2/c1-16-15-22(12-13-23(16)20-6-4-5-10-21-20)11-9-17-7-8-18(24-2)19(14-17)25-3/h4-8,10,14,16H,9,11-13,15H2,1-3H3
InChIKey
RWZICFUTJPIMEU-UHFFFAOYSA-N
Compound name
4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1-pyridin-2-ylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.21033 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.21761 186.3
[M+Na]+ 364.19955 191.9
[M-H]- 340.20305 191.0
[M+NH4]+ 359.24415 195.2
[M+K]+ 380.17349 186.9
[M+H-H2O]+ 324.20759 174.1
[M+HCOO]- 386.20853 201.7
[M+CH3COO]- 400.22418 213.6
[M+Na-2H]- 362.18500 187.5
[M]+ 341.20978 186.1
[M]- 341.21088 186.1
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.