CID 3069866

Brn 5070461

Structural Information

Molecular Formula
C15H18N2O3
SMILES
CCC1(C(=O)NC(=NC1=O)OC(C)C)C2=CC=CC=C2
InChI
InChI=1S/C15H18N2O3/c1-4-15(11-8-6-5-7-9-11)12(18)16-14(17-13(15)19)20-10(2)3/h5-10H,4H2,1-3H3,(H,16,17,18,19)
InChIKey
UAYMEORMNOUCCG-UHFFFAOYSA-N
Compound name
5-ethyl-5-phenyl-2-propan-2-yloxy-1H-pyrimidine-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.13174 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.139016 163.1
[M+Na]+ 297.120958 170.8
[M-H]- 273.124464 165.9
[M+NH4]+ 292.165563 178.0
[M+K]+ 313.094898 167.3
[M+H-H2O]+ 257.129000 155.1
[M+HCOO]- 319.129941 180.2
[M+CH3COO]- 333.145591 196.3
[M+Na-2H]- 295.106406 166.2
[M]+ 274.13119142 162.6
[M]- 274.13228858 162.6
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.