CID 135621451

2-chloro-6-phenyl-3,4-dihydropyrimidin-4-one

Structural Information

Molecular Formula

C₁₀H₇ClN₂O

SMILES

C1=CC=C(C=C1)C2=CC(=O)NC(=N2)Cl

InChI

InChI=1S/C10H7ClN2O/c11-10-12-8(6-9(14)13-10)7-4-2-1-3-5-7/h1-6H,(H,12,13,14)

InChIKey

KZICQWCTHPUYDT-UHFFFAOYSA-N

Compound name

2-chloro-4-phenyl-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 206.02469 Da
Monoisotopic Mass: 2.0
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]+	207.031966	139.3
[M+Na]+	229.013908	150.1
[M-H]-	205.017414	142.3
[M+NH4]+	224.058513	155.8
[M+K]+	244.987848	144.0
[M+H-H2O]+	189.021950	131.9
[M+HCOO]-	251.022891	156.5
[M+CH3COO]-	265.038541	152.3
[M+Na-2H]-	226.999356	147.2
[M]+	206.02414142	139.6
[M]-	206.02523858	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe