CID 135448147

2-(diethylamino)-6-methyl-1h-pyrimidin-4-one

Structural Information

Molecular Formula

C₉H₁₅N₃O

SMILES

CCN(CC)C1=NC(=CC(=O)N1)C

InChI

InChI=1S/C9H15N3O/c1-4-12(5-2)9-10-7(3)6-8(13)11-9/h6H,4-5H2,1-3H3,(H,10,11,13)

InChIKey

NQCPECCCWDWTJJ-UHFFFAOYSA-N

Compound name

2-(diethylamino)-4-methyl-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 7
References: 58
Patents: 181.1215 Da
Monoisotopic Mass: 0.4
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]+	182.12878	139.5
[M+Na]+	204.11072	148.1
[M-H]-	180.11422	140.9
[M+NH4]+	199.15532	157.1
[M+K]+	220.08466	146.1
[M+H-H2O]+	164.11876	132.1
[M+HCOO]-	226.11970	161.9
[M+CH3COO]-	240.13535	185.9
[M+Na-2H]-	202.09617	145.5
[M]+	181.12095	140.6
[M]-	181.12205	140.6

Literature stripe

literature stripe

Patent stripe

patents stripe