CID 9949342

Chembl563829

Structural Information

Molecular Formula
C19H24N2O3
SMILES
CCC1=C(N(C(=O)NC1=O)CC2CCC2)OC3=CC(=CC(=C3)C)C
InChI
InChI=1S/C19H24N2O3/c1-4-16-17(22)20-19(23)21(11-14-6-5-7-14)18(16)24-15-9-12(2)8-13(3)10-15/h8-10,14H,4-7,11H2,1-3H3,(H,20,22,23)
InChIKey
OJLIJZKBOJEITI-UHFFFAOYSA-N
Compound name
1-(cyclobutylmethyl)-6-(3,5-dimethylphenoxy)-5-ethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

328.17868 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.18596 177.6
[M+Na]+ 351.16790 185.4
[M-H]- 327.17140 183.4
[M+NH4]+ 346.21250 182.4
[M+K]+ 367.14184 183.2
[M+H-H2O]+ 311.17594 162.5
[M+HCOO]- 373.17688 194.9
[M+CH3COO]- 387.19253 212.6
[M+Na-2H]- 349.15335 177.5
[M]+ 328.17813 188.2
[M]- 328.17923 188.2
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

patents stripe