CID 453095

1,3-dimethyl-4-((5-methylfuran-2-yl)hydroxymethyl)uracil

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₄

SMILES

CC1=CC=C(O1)C(C2=CN(C(=O)N(C2=O)C)C)O

InChI

InChI=1S/C12H14N2O4/c1-7-4-5-9(18-7)10(15)8-6-13(2)12(17)14(3)11(8)16/h4-6,10,15H,1-3H3

InChIKey

IXUUJAZOXKULBC-UHFFFAOYSA-N

Compound name

5-[hydroxy-(5-methylfuran-2-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 250.09535 Da
Monoisotopic Mass: 0.3
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]+	251.102626	151.8
[M+Na]+	273.084568	163.4
[M-H]-	249.088074	157.0
[M+NH4]+	268.129173	166.9
[M+K]+	289.058508	161.5
[M+H-H2O]+	233.092610	144.8
[M+HCOO]-	295.093551	172.7
[M+CH3COO]-	309.109201	192.6
[M+Na-2H]-	271.070016	153.9
[M]+	250.09480142	156.5
[M]-	250.09589858	156.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.