CID 28761

17766-77-7

Structural Information

Molecular Formula

C₁₉H₂₃N₃O₄

SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C19H23N3O4/c1-24-15-12-14(13-16(25-2)18(15)26-3)19(23)22-10-8-21(9-11-22)17-6-4-5-7-20-17/h4-7,12-13H,8-11H2,1-3H3

InChIKey

FCSIXXHVPJCRTN-UHFFFAOYSA-N

Compound name

(4-pyridin-2-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 0
Patents: 357.16885 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	358.176126	186.1
[M+Na]+	380.158068	191.8
[M-H]-	356.161574	191.2
[M+NH4]+	375.202673	194.0
[M+K]+	396.132008	188.4
[M+H-H2O]+	340.166110	174.1
[M+HCOO]-	402.167051	201.4
[M+CH3COO]-	416.182701	214.5
[M+Na-2H]-	378.143516	187.0
[M]+	357.16830142	187.0
[M]-	357.16939858	187.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.