CID 15957825

Schembl6087042

Structural Information

Molecular Formula
C17H20N2O4
SMILES
CCC1=C(N(C(=O)NC1=O)CC(=O)C)OC2=CC(=CC(=C2)C)C
InChI
InChI=1S/C17H20N2O4/c1-5-14-15(21)18-17(22)19(9-12(4)20)16(14)23-13-7-10(2)6-11(3)8-13/h6-8H,5,9H2,1-4H3,(H,18,21,22)
InChIKey
GQLBNQTYFJYQCW-UHFFFAOYSA-N
Compound name
6-(3,5-dimethylphenoxy)-5-ethyl-1-(2-oxopropyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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 171.6
[M+Na]+ 339.13152 182.1
[M-H]- 315.13502 175.5
[M+NH4]+ 334.17612 183.4
[M+K]+ 355.10546 177.5
[M+H-H2O]+ 299.13956 162.9
[M+HCOO]- 361.14050 191.0
[M+CH3COO]- 375.15615 208.2
[M+Na-2H]- 337.11697 172.3
[M]+ 316.14175 176.3
[M]- 316.14285 176.3
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