CID 9839916

Schembl6086654

Structural Information

Molecular Formula
C17H20N2O4
SMILES
CCC1=C(N(C(=O)NC1=O)CC2CO2)OC3=CC(=CC(=C3)C)C
InChI
InChI=1S/C17H20N2O4/c1-4-14-15(20)18-17(21)19(8-13-9-22-13)16(14)23-12-6-10(2)5-11(3)7-12/h5-7,13H,4,8-9H2,1-3H3,(H,18,20,21)
InChIKey
ZNSUOYULUDYLTR-UHFFFAOYSA-N
Compound name
6-(3,5-dimethylphenoxy)-5-ethyl-1-(oxiran-2-ylmethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

316.1423 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.14958 178.3
[M+Na]+ 339.13152 190.7
[M-H]- 315.13502 186.5
[M+NH4]+ 334.17612 184.4
[M+K]+ 355.10546 185.4
[M+H-H2O]+ 299.13956 169.0
[M+HCOO]- 361.14050 197.9
[M+CH3COO]- 375.15615 209.0
[M+Na-2H]- 337.11697 180.4
[M]+ 316.14175 185.7
[M]- 316.14285 185.7
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

patents stripe