CID 204734

1-(2-pyridyl)-4-(3,4,5-trimethoxybenzoylethyl)piperazine dihydrochloride

Structural Information

Molecular Formula
C21H27N3O4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)CCN2CCN(CC2)C3=CC=CC=N3
InChI
InChI=1S/C21H27N3O4/c1-26-18-14-16(15-19(27-2)21(18)28-3)17(25)7-9-23-10-12-24(13-11-23)20-6-4-5-8-22-20/h4-6,8,14-15H,7,9-13H2,1-3H3
InChIKey
DGQSPANGORKWIM-UHFFFAOYSA-N
Compound name
3-(4-pyridin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.20016 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.20744 194.5
[M+Na]+ 408.18938 199.1
[M-H]- 384.19288 199.1
[M+NH4]+ 403.23398 201.1
[M+K]+ 424.16332 195.3
[M+H-H2O]+ 368.19742 182.0
[M+HCOO]- 430.19836 209.1
[M+CH3COO]- 444.21401 220.9
[M+Na-2H]- 406.17483 194.3
[M]+ 385.19961 196.1
[M]- 385.20071 196.1
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.