CID 213831

27125-06-0

Structural Information

Molecular Formula

C₁₅H₂₁N₃O₂

SMILES

CN1CCN(CC1)CC2CN(C(=O)O2)C3=CC=CC=C3

InChI

InChI=1S/C15H21N3O2/c1-16-7-9-17(10-8-16)11-14-12-18(15(19)20-14)13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3

InChIKey

ATSQNMASYMAYQS-UHFFFAOYSA-N

Compound name

5-[(4-methylpiperazin-1-yl)methyl]-3-phenyl-1,3-oxazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 275.1634 Da
Monoisotopic Mass: 1.4
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]+	276.170676	166.3
[M+Na]+	298.152618	171.6
[M-H]-	274.156124	171.6
[M+NH4]+	293.197223	178.2
[M+K]+	314.126558	168.9
[M+H-H2O]+	258.160660	155.9
[M+HCOO]-	320.161601	180.9
[M+CH3COO]-	334.177251	176.1
[M+Na-2H]-	296.138066	166.4
[M]+	275.16285142	162.1
[M]-	275.16394858	162.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.