CID 492056

Chembl140901

Structural Information

Molecular Formula
C15H24N2O3
SMILES
CCCCOC1=NC(=CC(=O)N1C)CC2(CCCO2)C
InChI
InChI=1S/C15H24N2O3/c1-4-5-8-19-14-16-12(10-13(18)17(14)3)11-15(2)7-6-9-20-15/h10H,4-9,11H2,1-3H3
InChIKey
NOOPFEATBQGXPG-UHFFFAOYSA-N
Compound name
2-butoxy-3-methyl-6-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

280.17868 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.18596 164.1
[M+Na]+ 303.16790 172.1
[M-H]- 279.17140 168.8
[M+NH4]+ 298.21250 180.2
[M+K]+ 319.14184 170.6
[M+H-H2O]+ 263.17594 156.3
[M+HCOO]- 325.17688 183.4
[M+CH3COO]- 339.19253 199.3
[M+Na-2H]- 301.15335 167.0
[M]+ 280.17813 168.3
[M]- 280.17923 168.3
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.