CID 3114641

294197-63-0

Structural Information

Molecular Formula

C₁₆H₁₈N₂O₆

SMILES

CC1=C(C(NC(=O)N1)C2=CC3=C(C=C2)OCO3)C(=O)OCCOC

InChI

InChI=1S/C16H18N2O6/c1-9-13(15(19)22-6-5-21-2)14(18-16(20)17-9)10-3-4-11-12(7-10)24-8-23-11/h3-4,7,14H,5-6,8H2,1-2H3,(H2,17,18,20)

InChIKey

JOAFDNANVAOGGG-UHFFFAOYSA-N

Compound name

2-methoxyethyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 334.1165 Da
Monoisotopic Mass: 0.7
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]+	335.123776	176.0
[M+Na]+	357.105718	182.5
[M-H]-	333.109224	179.5
[M+NH4]+	352.150323	185.6
[M+K]+	373.079658	181.1
[M+H-H2O]+	317.113760	168.0
[M+HCOO]-	379.114701	188.8
[M+CH3COO]-	393.130351	204.2
[M+Na-2H]-	355.091166	177.1
[M]+	334.11595142	177.8
[M]-	334.11704858	177.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.