CID 135988494

2-(2-chloropyridin-4-yl)-5,6-dimethyl-1,4-dihydropyrimidin-4-one

Structural Information

Molecular Formula

C₁₁H₁₀ClN₃O

SMILES

CC1=C(N=C(NC1=O)C2=CC(=NC=C2)Cl)C

InChI

InChI=1S/C11H10ClN3O/c1-6-7(2)14-10(15-11(6)16)8-3-4-13-9(12)5-8/h3-5H,1-2H3,(H,14,15,16)

InChIKey

PAIRXQOMYHXSSQ-UHFFFAOYSA-N

Compound name

2-(2-chloro-4-pyridinyl)-4,5-dimethyl-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 235.05124 Da
Monoisotopic Mass: 1.6
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]+	236.058516	149.0
[M+Na]+	258.040458	161.3
[M-H]-	234.043964	151.2
[M+NH4]+	253.085063	163.5
[M+K]+	274.014398	154.8
[M+H-H2O]+	218.048500	140.9
[M+HCOO]-	280.049441	164.5
[M+CH3COO]-	294.065091	161.5
[M+Na-2H]-	256.025906	154.8
[M]+	235.05069142	150.9
[M]-	235.05178858	150.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.