CID 509577

1-(ethoxymethyl)-6-(1-naphthylmethyl)-5-propyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula

C₂₁H₂₄N₂O₃

SMILES

CCCC1=C(N(C(=O)NC1=O)COCC)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C21H24N2O3/c1-3-8-18-19(23(14-26-4-2)21(25)22-20(18)24)13-16-11-7-10-15-9-5-6-12-17(15)16/h5-7,9-12H,3-4,8,13-14H2,1-2H3,(H,22,24,25)

InChIKey

ANZFEYSZXJEAJS-UHFFFAOYSA-N

Compound name

1-(ethoxymethyl)-6-(naphthalen-1-ylmethyl)-5-propylpyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 352.17868 Da
Monoisotopic Mass: 4.1
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]+	353.185956	186.1
[M+Na]+	375.167898	195.2
[M-H]-	351.171404	189.8
[M+NH4]+	370.212503	197.0
[M+K]+	391.141838	188.4
[M+H-H2O]+	335.175940	175.8
[M+HCOO]-	397.176881	204.3
[M+CH3COO]-	411.192531	214.2
[M+Na-2H]-	373.153346	189.3
[M]+	352.17813142	190.0
[M]-	352.17922858	190.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.