CID 497659

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

Structural Information

Molecular Formula
C10H14N2O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@](CO2)(CO)O
InChI
InChI=1S/C10H14N2O5/c1-6-3-12(9(15)11-8(6)14)7-2-10(16,4-13)5-17-7/h3,7,13,16H,2,4-5H2,1H3,(H,11,14,15)/t7-,10+/m1/s1
InChIKey
JWEPCEQKDBGCMS-XCBNKYQSSA-N
Compound name
1-[(2R,4S)-4-hydroxy-4-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

242.09027 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.09755 148.8
[M+Na]+ 265.07949 158.4
[M-H]- 241.08299 150.6
[M+NH4]+ 260.12409 164.3
[M+K]+ 281.05343 156.0
[M+H-H2O]+ 225.08753 142.8
[M+HCOO]- 287.08847 165.6
[M+CH3COO]- 301.10412 182.3
[M+Na-2H]- 263.06494 152.5
[M]+ 242.08972 148.3
[M]- 242.09082 148.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.