CID 382819

146529-61-5

Structural Information

Molecular Formula

C₂₀H₂₄N₄O₂

SMILES

C1CN(CCN1CCCCN2C3=C(C=CC=N3)OC2=O)C4=CC=CC=C4

InChI

InChI=1S/C20H24N4O2/c25-20-24(19-18(26-20)9-6-10-21-19)12-5-4-11-22-13-15-23(16-14-22)17-7-2-1-3-8-17/h1-3,6-10H,4-5,11-16H2

InChIKey

GCOPOUOKRHYMGX-UHFFFAOYSA-N

Compound name

3-[4-(4-phenylpiperazin-1-yl)butyl]-[1,3]oxazolo[4,5-b]pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 352.1899 Da
Monoisotopic Mass: 2.9
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]+	353.197176	185.3
[M+Na]+	375.179118	192.7
[M-H]-	351.182624	190.6
[M+NH4]+	370.223723	193.5
[M+K]+	391.153058	187.1
[M+H-H2O]+	335.187160	172.9
[M+HCOO]-	397.188101	200.5
[M+CH3COO]-	411.203751	194.1
[M+Na-2H]-	373.164566	188.1
[M]+	352.18935142	185.9
[M]-	352.19044858	185.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.