CID 7150862

853334-53-9

Structural Information

Molecular Formula

C₁₃H₈ClN₃O

SMILES

C1=CN2C(=CN=C2N=C1)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C13H8ClN3O/c14-10-4-2-9(3-5-10)12(18)11-8-16-13-15-6-1-7-17(11)13/h1-8H

InChIKey

QONAVQIYUSXPRK-UHFFFAOYSA-N

Compound name

(4-chlorophenyl)-imidazo[1,2-a]pyrimidin-3-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 257.03558 Da
Monoisotopic Mass: 3.4
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]+	258.04286	153.5
[M+Na]+	280.02480	165.4
[M-H]-	256.02830	157.8
[M+NH4]+	275.06940	169.8
[M+K]+	295.99874	159.2
[M+H-H2O]+	240.03284	144.5
[M+HCOO]-	302.03378	170.8
[M+CH3COO]-	316.04943	166.3
[M+Na-2H]-	278.01025	160.1
[M]+	257.03503	157.6
[M]-	257.03613	157.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.