CID 453096

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

Structural Information

Molecular Formula
C12H14N2O4
SMILES
CC1=CC=C(O1)C(C2=CC(=O)N(C(=O)N2C)C)O
InChI
InChI=1S/C12H14N2O4/c1-7-4-5-9(18-7)11(16)8-6-10(15)14(3)12(17)13(8)2/h4-6,11,16H,1-3H3
InChIKey
TZVUTBSKPAZUAO-UHFFFAOYSA-N
Compound name
6-[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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.10263 151.8
[M+Na]+ 273.08457 163.4
[M-H]- 249.08807 157.0
[M+NH4]+ 268.12917 166.9
[M+K]+ 289.05851 161.5
[M+H-H2O]+ 233.09261 144.8
[M+HCOO]- 295.09355 172.7
[M+CH3COO]- 309.10920 192.6
[M+Na-2H]- 271.07002 153.9
[M]+ 250.09480 156.5
[M]- 250.09590 156.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.