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

67
Patents

181.1215 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.