CID 16077332

Chembl229049

Structural Information

Molecular Formula
C20H20N2O4
SMILES
CCC1=C(N(C(=O)NC1=O)COCC)C(=O)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C20H20N2O4/c1-3-14-17(22(12-26-4-2)20(25)21-19(14)24)18(23)16-11-7-9-13-8-5-6-10-15(13)16/h5-11H,3-4,12H2,1-2H3,(H,21,24,25)
InChIKey
VLMHMIKEJISQLQ-UHFFFAOYSA-N
Compound name
1-(ethoxymethyl)-5-ethyl-6-(naphthalene-1-carbonyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.1423 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.14958 182.8
[M+Na]+ 375.13152 192.2
[M-H]- 351.13502 186.9
[M+NH4]+ 370.17612 193.4
[M+K]+ 391.10546 186.3
[M+H-H2O]+ 335.13956 172.9
[M+HCOO]- 397.14050 200.7
[M+CH3COO]- 411.15615 213.7
[M+Na-2H]- 373.11697 185.7
[M]+ 352.14175 186.6
[M]- 352.14285 186.6
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

No patent data available for this compound.