CID 21320102

56817-09-5

Structural Information

Molecular Formula

C₆H₄ClN₃O

SMILES

C1=CN2C(=N1)C=C(NC2=O)Cl

InChI

InChI=1S/C6H4ClN3O/c7-4-3-5-8-1-2-10(5)6(11)9-4/h1-3H,(H,9,11)

InChIKey

MORDDYJPVSRHAG-UHFFFAOYSA-N

Compound name

7-chloro-6H-imidazo[1,2-c]pyrimidin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 161
Patents: 169.00429 Da
Monoisotopic Mass: 0.7
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]+	170.01157	127.7
[M+Na]+	191.99351	143.0
[M+NH4]+	187.03811	136.0
[M+K]+	207.96745	138.2
[M-H]-	167.99701	127.9
[M+Na-2H]-	189.97896	134.8
[M]+	169.00374	130.1
[M]-	169.00484	130.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe