CID 135631207

6-ethyl-2-(pyridin-4-yl)-3,4-dihydropyrimidin-4-one

Structural Information

Molecular Formula
C11H11N3O
SMILES
CCC1=CC(=O)NC(=N1)C2=CC=NC=C2
InChI
InChI=1S/C11H11N3O/c1-2-9-7-10(15)14-11(13-9)8-3-5-12-6-4-8/h3-7H,2H2,1H3,(H,13,14,15)
InChIKey
KZDYQMUJMPFBAQ-UHFFFAOYSA-N
Compound name
4-ethyl-2-pyridin-4-yl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

201.09021 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.097486 143.6
[M+Na]+ 224.079428 153.4
[M-H]- 200.082934 145.4
[M+NH4]+ 219.124033 158.1
[M+K]+ 240.053368 148.4
[M+H-H2O]+ 184.087470 134.7
[M+HCOO]- 246.088411 163.8
[M+CH3COO]- 260.104061 155.8
[M+Na-2H]- 222.064876 151.5
[M]+ 201.08966142 142.8
[M]- 201.09075858 142.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.