CID 3035655

S 12813

Structural Information

Molecular Formula

C₁₈H₂₀N₄O₂

SMILES

C1CN(CCN1CCN2C3=C(C=CC=N3)OC2=O)C4=CC=CC=C4

InChI

InChI=1S/C18H20N4O2/c23-18-22(17-16(24-18)7-4-8-19-17)14-11-20-9-12-21(13-10-20)15-5-2-1-3-6-15/h1-8H,9-14H2

InChIKey

KVIFRYUROZAMHI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 1
Patents: 324.15863 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]+	325.16591	176.6
[M+Na]+	347.14785	184.9
[M-H]-	323.15135	182.2
[M+NH4]+	342.19245	186.0
[M+K]+	363.12179	179.7
[M+H-H2O]+	307.15589	164.6
[M+HCOO]-	369.15683	192.5
[M+CH3COO]-	383.17248	186.3
[M+Na-2H]-	345.13330	180.4
[M]+	324.15808	176.6
[M]-	324.15918	176.6

Literature stripe

literature stripe

Patent stripe

patents stripe