CID 11246585

5-isopropyl-1-(2-methoxyethoxymethyl)-6-(1-naphthylsulfanyl)pyrimidine-2,4-dione

Structural Information

Molecular Formula

C₂₁H₂₄N₂O₄S

SMILES

CC(C)C1=C(N(C(=O)NC1=O)COCCOC)SC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C21H24N2O4S/c1-14(2)18-19(24)22-21(25)23(13-27-12-11-26-3)20(18)28-17-10-6-8-15-7-4-5-9-16(15)17/h4-10,14H,11-13H2,1-3H3,(H,22,24,25)

InChIKey

HHRZVKXYJIAOON-UHFFFAOYSA-N

Compound name

1-(2-methoxyethoxymethyl)-6-naphthalen-1-ylsulfanyl-5-propan-2-ylpyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 400.1457 Da
Monoisotopic Mass: 3.7
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]+	401.152976	193.9
[M+Na]+	423.134918	202.4
[M-H]-	399.138424	197.6
[M+NH4]+	418.179523	203.3
[M+K]+	439.108858	196.1
[M+H-H2O]+	383.142960	184.4
[M+HCOO]-	445.143901	206.4
[M+CH3COO]-	459.159551	220.7
[M+Na-2H]-	421.120366	194.3
[M]+	400.14515142	201.0
[M]-	400.14624858	201.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.