CID 477851

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

Structural Information

Molecular Formula
C11H14N2O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@@](O2)(C)CO
InChI
InChI=1S/C11H14N2O4/c1-7-5-13(10(16)12-9(7)15)8-3-4-11(2,6-14)17-8/h3-5,8,14H,6H2,1-2H3,(H,12,15,16)/t8-,11+/m1/s1
InChIKey
ARVZUQISYCBJRH-KCJUWKMLSA-N
Compound name
1-[(2R,5S)-5-(hydroxymethyl)-5-methyl-2H-furan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

31
Patents

238.09535 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.10263 148.1
[M+Na]+ 261.08457 159.0
[M-H]- 237.08807 151.5
[M+NH4]+ 256.12917 164.7
[M+K]+ 277.05851 156.4
[M+H-H2O]+ 221.09261 141.8
[M+HCOO]- 283.09355 167.4
[M+CH3COO]- 297.10920 184.9
[M+Na-2H]- 259.07002 152.5
[M]+ 238.09480 149.7
[M]- 238.09590 149.7
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.