CID 12065975

Chembl228994

Structural Information

Molecular Formula
C19H18N2O4
SMILES
CCOCN1C(=C(C(=O)NC1=O)C)C(=O)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C19H18N2O4/c1-3-25-11-21-16(12(2)18(23)20-19(21)24)17(22)15-10-6-8-13-7-4-5-9-14(13)15/h4-10H,3,11H2,1-2H3,(H,20,23,24)
InChIKey
SDFIOEJMXALCDG-UHFFFAOYSA-N
Compound name
1-(ethoxymethyl)-5-methyl-6-(naphthalene-1-carbonyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.12665 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.13393 178.3
[M+Na]+ 361.11587 188.1
[M-H]- 337.11937 182.6
[M+NH4]+ 356.16047 189.5
[M+K]+ 377.08981 182.4
[M+H-H2O]+ 321.12391 168.5
[M+HCOO]- 383.12485 196.5
[M+CH3COO]- 397.14050 210.7
[M+Na-2H]- 359.10132 181.7
[M]+ 338.12610 181.8
[M]- 338.12720 181.8
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.