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]+ 275.13902 163.1
[M+Na]+ 297.12096 170.8
[M-H]- 273.12446 165.9
[M+NH4]+ 292.16556 178.0
[M+K]+ 313.09490 167.3
[M+H-H2O]+ 257.12900 155.1
[M+HCOO]- 319.12994 180.2
[M+CH3COO]- 333.14559 196.3
[M+Na-2H]- 295.10641 166.2
[M]+ 274.13119 162.6
[M]- 274.13229 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.