CID 3008896

1-[(2r,5s)-5-(hydroxymethyl)-5-vinyl-2h-furan-2-yl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C12H14N2O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@](O2)(CO)C=C
InChI
InChI=1S/C12H14N2O4/c1-3-12(7-15)5-4-9(18-12)14-6-8(2)10(16)13-11(14)17/h3-6,9,15H,1,7H2,2H3,(H,13,16,17)/t9-,12+/m1/s1
InChIKey
DMMHWMLOGNSFSI-SKDRFNHKSA-N
Compound name
1-[(2R,5S)-5-ethenyl-5-(hydroxymethyl)-2H-furan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

22
Patents

250.09535 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.10263 151.5
[M+Na]+ 273.08457 162.3
[M-H]- 249.08807 154.8
[M+NH4]+ 268.12917 167.6
[M+K]+ 289.05851 158.8
[M+H-H2O]+ 233.09261 145.1
[M+HCOO]- 295.09355 170.7
[M+CH3COO]- 309.10920 187.1
[M+Na-2H]- 271.07002 155.5
[M]+ 250.09480 152.8
[M]- 250.09590 152.8
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.