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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	353.149576	182.8
[M+Na]+	375.131518	192.2
[M-H]-	351.135024	186.9
[M+NH4]+	370.176123	193.4
[M+K]+	391.105458	186.3
[M+H-H2O]+	335.139560	172.9
[M+HCOO]-	397.140501	200.7
[M+CH3COO]-	411.156151	213.7
[M+Na-2H]-	373.116966	185.7
[M]+	352.14175142	186.6
[M]-	352.14284858	186.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.