CID 4149207

425634-97-5

Structural Information

Molecular Formula

C₁₀H₁₃ClN₄O

SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CCl

InChI

InChI=1S/C10H13ClN4O/c11-8-9(16)14-4-6-15(7-5-14)10-12-2-1-3-13-10/h1-3H,4-8H2

InChIKey

QOSZOMQTJFDQSE-UHFFFAOYSA-N

Compound name

2-chloro-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 240.07779 Da
Monoisotopic Mass: 0.6
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]+	241.08507	152.5
[M+Na]+	263.06701	159.3
[M-H]-	239.07051	152.5
[M+NH4]+	258.11161	164.7
[M+K]+	279.04095	154.9
[M+H-H2O]+	223.07505	142.2
[M+HCOO]-	285.07599	163.0
[M+CH3COO]-	299.09164	162.3
[M+Na-2H]-	261.05246	157.2
[M]+	240.07724	150.0
[M]-	240.07834	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe